Compile Data Set for Download or QSAR

Found 32 hits with all data for this entryid   

HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50094702(CHEMBL15844 | indole | Indole, 7 | Indol | 1H-indo...)
ITC DataΔG°: -33.2kJ/mole logk: 6.70E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50159250(Naphth-2-ol, 10 | naphthalen-2-ol | beta-hydroxyna...)
ITC DataΔG°: -33.0kJ/mole logk: 6.10E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36285(2,6-dihdroxynaphthalene | 2,6-dihydroxynaphthalene)
ITC DataΔG°: -32.9kJ/mole logk: 5.90E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36292(6-methoxy-2-naphthol)
ITC DataΔG°: -32.5kJ/mole logk: 5.00E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM23450(CHEMBL122617 | Naphth-1-ol, 9 | alpha-naphthol | 1...)
ITC DataΔG°: -32.0kJ/mole logk: 4.00E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36290(2,3-dihydroxynaphthalene)
ITC DataΔG°: -31.4kJ/mole logk: 3.20E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36286(2,7-dihdroxynaphthalene | 2,7-dihydroxynaphthalene)
ITC DataΔG°: -29.7kJ/mole logk: 1.60E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36296(3-methoxy-2-naphthol)
ITC DataΔG°: -29.7kJ/mole logk: 1.60E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36287(1,5-dihydroxynaphthalene)
ITC DataΔG°: -29.1kJ/mole logk: 1.30E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36301(2-Chlorophenol (2-CP) | 2-chlorophenol)
ITC DataΔG°: -27.9kJ/mole logk: 7.90E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36288(1,6-dihydroxynaphthalene)
ITC DataΔG°: -27.9kJ/mole logk: 7.60E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50167952(CHEMBL41172 | 3-chlorophenol)
ITC DataΔG°: -27.3kJ/mole logk: 6.00E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36289(1,7-dihydroxynaphthalene)
ITC DataΔG°: -27.0kJ/mole logk: 5.40E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM26187(CHEMBL14060 | phenol | US9688816, 2 | α-CA in...)
ITC DataΔG°: -24.8kJ/mole logk: 2.20E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36291(sesamol)
ITC DataΔG°: -24.6kJ/mole logk: 2.10E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50106187(Benzoylamide | Benzenecarboxamide | CHEMBL267373 |...)
ITC DataΔG°: -23.6kJ/mole logk: 1.30E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36299(4-chlorophenol)
ITC DataΔG°: -23.5kJ/mole logk: 1.30E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36300(4-iodophenol)
ITC DataΔG°: -23.5kJ/mole logk: 1.30E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50240369(1-Hydroxy-2-methoxybenzene | CHEMBL13766 | guaiaco...)
ITC DataΔG°: -23.1kJ/mole logk: 1.10E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM26188(1,2-Dihydroxybenzene, XI | CHEMBL280998 | benzene-...)
ITC DataΔG°: -22.9kJ/mole logk: 1.00E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50150779(4-bromophenol | CHEMBL57284 | 4-Bromo-phenol)
ITC DataΔG°: -22.6kJ/mole logk: 9.10E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50225188(CHEMBL56226 | 4-Fluoro-phenol | CHEMBL559509 | 4-f...)
ITC DataΔG°: -21.9kJ/mole logk: 6.80E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36297(3-methoxyphenol)
ITC DataΔG°: -21.7kJ/mole logk: 6.40E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36293(1,2,3-benzotriazole | Benzotriazole (Bta))
ITC DataΔG°: -21.7kJ/mole logk: 6.40E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36294(3-cyanophenol)
ITC DataΔG°: -21.2kJ/mole logk: 5.20E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM26189(CHEMBL24147 | benzene-1,3-diol | 1,3-dihydroxybenz...)
ITC DataΔG°: -21.2kJ/mole logk: 5.20E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36295(4-methoxyphenol | MEQUINOL)
ITC DataΔG°: -21.1kJ/mole logk: 5.00E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36302(1,4-dimethoxybenzene)
ITC DataΔG°: -20.8kJ/mole logk: 4.30E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM26190(CHEMBL537 | benzene-1,4-diol | Hydroquinone, HQ | ...)
ITC DataΔG°: -20.7kJ/mole logk: 4.20E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM26196(4-cyanophenol | 4-hydroxybenzonitrile | phenol der...)
ITC DataΔG°: -20kJ/mole logk: 3.20E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36298(2-cyanophenol)
ITC DataΔG°: -18.8kJ/mole logk: 1.90E+3
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM50249069(CHEMBL473159 | 1,3,5-trihydroxybenzene | phloroglu...)
ITC DataΔG°: -14.7kJ/mole logk: 370
pH: 7.0 T: 25.00°C 
  • Reorder this table by ΔH°
  • Reorder this table by ΔS°
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kcal/mol