2,6-dimethylcyclohexanol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
128.21 1 1 1.80 SF_C1136 None Not checked

SMILES: CC1CCCC(C)C1O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2,6-dimethylcyclohexanol] 2.98 7.2 25.0 Differential circular dichroism spectroscopy Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,6-dimethylcyclohexanol] 2.48 7.2 25.0 Differential circular dichroism spectroscopy Yu Liu 2001

2,6-diphenyl-4-(2,4,6-triphenylpyridinium-1-yl)phenolate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
551.68 0 0 10.44 JN_G_2 None Not checked

SMILES: [O-]c1c(cc(cc1c2ccccc2)[n+]3c(cc(cc3c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[2,6-diphenyl-4-(2,4,6-triphenylpyridinium-1-yl)phenolate] 1.39 0.69 8.0 25.0 UV-Vis spectroscopy Clodoaldo Machado 2005

2,6-naphthalenedisulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.28 4 0 2.81 SF_C1315 None Not checked

SMILES: [O-][S](=O)(=O)c1ccc2cc(ccc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,6-naphthalenedisulfonate] 3.29 0.05 7.2 25.0 Calorimetry Yoshihisa Inoue 1993

2,7-Naphthalenedisulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.28 4 0 2.81 nt0621 None Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccc(cc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2,7-Naphthalenedisulfonate] 0.98 25.0 Kenneth A. Connors 1995

2,7-Naphthalenedisulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.28 4 0 2.81 nt1540 None Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccc(cc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2,7-Naphthalenedisulfonate] 2.44 25.0 Kenneth A. Connors 1995

2,7-Naphthalenedisulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.28 4 0 2.81 nt1950 None Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccc(cc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[2,7-Naphthalenedisulfonate] 2.58 25.0 Kenneth A. Connors 1995

2,7-dihydroxinaphtalene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C102 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2,7-dihydroxinaphtalene] 2.16 1.15 SPR experiments Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[2,7-dihydroxinaphtalene] 2.02 1.18 SPR experiments Michael J. Sepaniak 2003

2,7-naphthalenedisulfonate

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.28 4 0 2.81 SF_C1316 None Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccc(cc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2,7-naphthalenedisulfonate ] 0.98 0.06 7.2 25.0 Calorimetry Yoshihisa Inoue 1993
[b-Cyclodextrin](1).[2,7-naphthalenedisulfonate ] 2.44 0.02 7.2 25.0 Calorimetry Yoshihisa Inoue 1993
[g-Cyclodextrin](1).[2,7-naphthalenedisulfonate ] 2.58 0.02 7.2 25.0 Calorimetry Yoshihisa Inoue 1993

2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-N,N-diethyl-N-methylethanaminium bromide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
428.40 3 1 0.49 SF_C155 None Not checked

SMILES: [Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c2ccccc2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-N,N-diethyl-N-methylethanaminium bromide] 1.85 0.60 7.0 36.0 NMR spectroscopy Noriaki Funasaki 2003

2-(2-fluoro-4-biphenylyl)propionic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
244.26 2 1 3.68 SF_C1737 None Not checked

SMILES: CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.77 7.0 15.0 UV-vis spectroscopy Kaneto Uekama 1985
[b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.64 7.0 25.0 UV-vis spectroscopy Kaneto Uekama 1985
[b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.56 7.0 37.0 UV-vis spectroscopy Kaneto Uekama 1985
[b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.52 7.0 45.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 4.09 7.0 15.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 4.00 7.0 25.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.97 7.0 37.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.93 7.0 45.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.38 7.0 15.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 3.17 7.0 25.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 2.68 7.0 37.0 UV-vis spectroscopy Kaneto Uekama 1985
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2-(2-fluoro-4-biphenylyl)propionic acid] 2.34 7.0 45.0 UV-vis spectroscopy Kaneto Uekama 1985

2-(2¢-hydroxyphenyl)benzoxazole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None JN_25 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2-(2¢-hydroxyphenyl)benzoxazole] 2.53 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[b-Cyclodextrin](1).[2-(2¢-hydroxyphenyl)benzoxazole] 2.36 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2¢-hydroxyphenyl)benzoxazole] 2.66 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2¢-hydroxyphenyl)benzoxazole] 2.44 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[g-Cyclodextrin](1).[2-(2¢-hydroxyphenyl)benzoxazole] 2.15 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996

2-(2’-hydroxyphenyl)benzimidazole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
210.23 2 2 2.94 JN_24 None Not checked

SMILES: Oc1ccccc1c2[nH]c3ccccc3n2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzimidazole] 2.12 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[b-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzimidazole] 1.72 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-hydroxyphenyl)benzimidazole] 2.41 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-hydroxyphenyl)benzimidazole] 2.32 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[g-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzimidazole] 1.65 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996

2-(2’-hydroxyphenyl)benzothiazole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
227.28 2 1 3.67 JN_26 None Not checked

SMILES: Oc1ccccc1c2sc3ccccc3n2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzothiazole] 2.34 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[b-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzothiazole] 1.98 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-hydroxyphenyl)benzothiazole] 2.40 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-hydroxyphenyl)benzothiazole] 2.09 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[g-Cyclodextrin](1).[2-(2’-hydroxyphenyl)benzothiazole] 2.21 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996

2-(2’-methoxyphenyl)benzothiazole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
241.31 2 0 3.97 JN_27 None Not checked

SMILES: COc1ccccc1c2sc3ccccc3n2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[2-(2’-methoxyphenyl)benzothiazole] 2.59 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[b-Cyclodextrin](1).[2-(2’-methoxyphenyl)benzothiazole] 2.49 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-methoxyphenyl)benzothiazole] 2.72 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(2’-methoxyphenyl)benzothiazole] 2.72 7.0 25.0 induced circular dichroism Isiah M.Warner 1996
[g-Cyclodextrin](1).[2-(2’-methoxyphenyl)benzothiazole] 2.40 7.0 25.0 fluorescence spectroscopy Isiah M.Warner 1996