benzenesulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
157.17 2 0 1.67 SF_C1508 None Not checked

SMILES: [O-][S](=O)(=O)c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[benzenesulfonate] 0.99 7.0 25.0 NMR spectroscopy Noriaki Funasaki 2001

benzo-15-crown-5 ether derivative
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C1477 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[benzo-15-crown-5 ether derivative] 1.78 7.0 25.0 Fluorescence spectroscopy Norio Teramae 2000
[g-Cyclodextrin](0.5).[benzo-15-crown-5 ether derivative] 5.82 7.0 25.0 Fluorescence spectroscopy Norio Teramae 2000
[g-Cyclodextrin](2).[benzo-15-crown-5 ether derivative] 2.53 7.0 25.0 Fluorescence spectroscopy Norio Teramae 2000

benzoate ion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
121.11 1 0 0.05 JN_345 None Not checked

SMILES: [O-]C(=O)c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[benzoate ion] 1.20 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[a-Cyclodextrin](1).[benzoate ion] 1.11 25.0 spectrophotometry Wolfgang Zimmermann 1998
[a-Cyclodextrin](1).[benzoate ion] 1.00 25.0 microcalorimetry Wolfgang Zimmermann 1998
[a-Cyclodextrin](1).[benzoate ion] 1.05 -0.46 25.0 potentiometry Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[benzoate ion] 1.36 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[benzoate ion] 1.20 0.08 25.0 microcalorimetry Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[benzoate ion] 1.78 1.00 25.0 potentiometry Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[benzoate ion] 0.48 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[benzoate ion] 0.60 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[benzoate ion] 0.48 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[benzoate ion] 0.70 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[benzoate ion] 0.70 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[benzoate ion] 0.48 25.0 capillary electrophoresis Wolfgang Zimmermann 1998

benzocaine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
165.19 3 1 2.03 SF_C597 None Not checked

SMILES: CCOC(=O)c1ccc(N)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[benzocaine] 2.74 1.62 7.0 25.0 UV-vis spectroscopy Eneida de Paula 2005

benzoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
122.12 2 1 1.38 SF_C104 None Not checked

SMILES: OC(=O)c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[benzoic acid] 1.62 1.15 SPR experiments Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[benzoic acid] 0.85 0.30 SPR experiments Michael J. Sepaniak 2003

benzoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
122.12 2 1 1.38 SF_C808 None Not checked

SMILES: OC(=O)c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[benzoic acid] 2.90 1.43 25.0 Ágnes Buvári-Barcza 2002
[b-Cyclodextrin](1).[benzoic acid] 3.06 7.0 UV/VIS Spectroscopy Qing-Xhiang Guo 2001

benzoic acid-d5

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
127.15 7 1 1.38 SF_C1543 None Not checked

SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[benzoic acid-d5 ] 1.84 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

benzyl alcohol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
108.14 1 1 1.18 SF_C1356 None Not checked

SMILES: OCc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[monoammonio-per-O-methyl-a-cyclodextrin](1).[benzyl alcohol] 1.96 1.03 7.0 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl alcohol] 1.61 0.77 7.0 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl alcohol] 1.48 0.66 5.5 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl alcohol] 1.60 0.81 9.5 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979

benzyl alcohol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
108.14 1 1 1.18 SF_C554 None Not checked

SMILES: OCc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-a-Cyclodextrin](1).[benzyl alcohol] 0.60 7.0 25.0 Gas chromatography G.W. Meindersma 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[benzyl alcohol] 1.15 7.0 25.0 Gas chromatography G.W. Meindersma 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](0.5).[benzyl alcohol] 0.70 7.0 25.0 Gas chromatography G.W. Meindersma 2006

benzyl phosphate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
186.10 2 0 2.17 SF_C1357 None Not checked

SMILES: [O-][P]([O-])(=O)OCc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[monoammonio-per-O-methyl-a-cyclodextrin](1).[benzyl phosphate] 1.52 0.89 7.0 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl phosphate] 4.51 3.72 7.0 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl phosphate] 1.00 9.5 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[benzyl phosphate] 2.68 1.66 5.5 30.0 UV-vis spectroscopy Jeremy R. Knowles 1979

benzyl phosphate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
186.10 2 0 2.17 SF_C1359 None Not checked

SMILES: [O-][P]([O-])(=O)OCc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef