E-4-tertbutylphenyl-4' -oxyazobenzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
330.42 3 0 6.15 SF_C550 None Not checked

SMILES: O=C1C=CC(/N=N/C2=CC=CC=C2C3=CC=C(C(C)(C)C)C=C3)=CC1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[E-4-tertbutylphenyl-4' -oxyazobenzene] 5.45 4.45 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[a-Cyclodextrin](2).[E-4-tertbutylphenyl-4' -oxyazobenzene] 3.84 1.78 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[b-Cyclodextrin](1).[E-4-tertbutylphenyl-4' -oxyazobenzene] 5.09 4.08 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[b-Cyclodextrin](2).[E-4-tertbutylphenyl-4' -oxyazobenzene] 4.09 2.78 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[N-(6A-deoxy-a-cyclodextrin-6A-yl)-N -(6A-deoxy-b-cyclodextrin-6A-yl)urea](1).[E-4-tertbutylphenyl-4' -oxyazobenzene] 5.49 3.48 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[N,N-bis(6Adeoxy-b-cyclodextrin-6A-yl)urea](1).[E-4-tertbutylphenyl-4' -oxyazobenzene] 4.91 3.80 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005
[N,N-bis(6Adeoxy-b-cyclodextrin-6A-yl)urea](0.5).[E-4-tertbutylphenyl-4' -oxyazobenzene] 4.38 3.72 10.0 25.0 UV-vis spectroscopy Stephen F. Lincoln 2005

Ebselen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
274.18 2 0 2.05 NT_b0172 None Not checked

SMILES: O=C1N([Se]c2ccccc12)c3ccccc3

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[Ebselen] 1.00 7.0 25.0 phase solubility Kaneto Uekama 2002
[a-Cyclodextrin](2).[Ebselen] 1.70 7.0 25.0 phase solubility Kaneto Uekama 2002
[sulfobutylether-b-cyclodextrin](1).[Ebselen] 3.43 7.0 25.0 phase solubility Kaneto Uekama 2002
[sulfobutylether-b-cyclodextrin](1).[Ebselen] 3.56 7.0 25.0 1H-NMR Kaneto Uekama 2002
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[Ebselen] 3.00 7.0 25.0 phase solubility Kaneto Uekama 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Ebselen] 2.90 7.0 25.0 phase solubility Kaneto Uekama 2002
[b-Cyclodextrin](1).[Ebselen] 2.68 7.0 25.0 phase solubility Kaneto Uekama 2002
[G2-b-CD](1).[Ebselen] 2.63 7.0 25.0 phase solubility Kaneto Uekama 2002
[g-Cyclodextrin](1).[Ebselen] 2.00 7.0 25.0 phase solubility Kaneto Uekama 2002
[2-O-(2-Hydroxy)butyl-b-Cyclodextrin](1).[Ebselen] 3.20 7.0 25.0 phase solubility Kaneto Uekama 2002

Ellipticine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
246.31 1 1 4.49 nt1916 None Not checked

SMILES: Cc1c2[nH]c3ccccc3c2c(C)c4cnccc14

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[Ellipticine] 4.01 25.0 Kenneth A. Connors 1995

Emetine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
516.09 6 1 5.90 nt1917 None Not checked

SMILES: [Cl].CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[Emetine] 2.92 25.0 Kenneth A. Connors 1995

Ephedrine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
165.23 2 2 1.72 nt1266 None Not checked

SMILES: CN[C@@H](C)[C@H](O)c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[Ephedrine] 2.25 25.0 Kenneth A. Connors 1995

Erythrosine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
879.86 2 0 5.49 NT_a0004 None Not checked

SMILES: [Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[Erythrosine B] 2.04 Induced circular dichroism absorption spectroscopy and steady-state and picosecond time resolved fluorescence spectroscopy Flamigni, Lucia 1993
[a-Cyclodextrin](1).[Erythrosine B] 1.30 Induced circular dichroism absorption spectroscopy and steady-state and picosecond time resolved fluorescence spectroscopy Flamigni, Lucia 1993
[b-Cyclodextrin](1).[Erythrosine B] 1.60 Induced circular dichroism absorption spectroscopy and steady-state and picosecond time resolved fluorescence spectroscopy Flamigni, Lucia 1993

Estradiol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
272.38 2 2 3.61 VR_C107 None Not checked

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[Estradiol] 3.83 2.83 35.0 HPLC Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Estradiol] 3.85 2.60 35.0 HPLC Nina Sadlej-Sosnowska 1997

Estriol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
288.38 3 3 2.58 VR_C109 None Not checked

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[Estriol] 3.67 2.60 35.0 HPLC Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Estriol] 3.51 2.57 35.0 HPLC Nina Sadlej-Sosnowska 1997

Estrone
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
270.37 2 1 3.82 VR_C110 None Not checked

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[Estrone] 3.49 2.78 35.0 HPLC Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Estrone] 3.41 2.36 35.0 HPLC Nina Sadlej-Sosnowska 1997

Et-benzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VR_C194 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[Et-benzene] 2.12 1.28 25.0 GC (SHSGC) É. Fenyvesi 2005
[b-Cyclodextrin](1).[Et-benzene] 2.46 2.24 25.0 GC (SHSGC) É. Fenyvesi 2005
[g-Cyclodextrin](1).[Et-benzene] 2.10 1.46 25.0 GC (SHSGC) É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Et-benzene] 2.51 1.95 25.0 GC (SHSGC) É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Et-benzene] 2.39 1.58 25.0 GC (SHSGC) É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Et-benzene] 3.08 2.16 25.0 GC (SHSGC) É. Fenyvesi 2005

Et-cyclohexane
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VR_C188 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[Et-cyclohexane] 3.30 2.37 25.0 GC (SHSGC) É. Fenyvesi 2005
[b-Cyclodextrin](1).[Et-cyclohexane] 2.81 1.77 25.0 GC (SHSGC) É. Fenyvesi 2005
[g-Cyclodextrin](1).[Et-cyclohexane] 0.90 0.30 25.0 GC (SHSGC) É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Et-cyclohexane] 2.87 1.46 25.0 GC (SHSGC) É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Et-cyclohexane] 2.80 2.11 25.0 GC (SHSGC) É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Et-cyclohexane] 3.53 2.69 25.0 GC (SHSGC) É. Fenyvesi 2005