(S)-N,N-dimethyl-1-ferrocenylethylamine

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
257.15 1 0 3.43 SF_C1072 None Not checked

SMILES: CC(C1=CC=C[CH-]1)N(C)C.[CH-]1C=CC=C1.[Fe+2]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-N,N-dimethyl-1-ferrocenylethylamine ] 3.75 2.48 4.8 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
435.52 7 2 4.16 NT_a0071 None Not checked

SMILES: CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@@H](C(C)C)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine] 2.47 0.85 25.0 phase solubility Cappello, Brunella 2006

(S)-a-methoxy phenylacetic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
166.17 3 1 1.46 SF_C1086 None Not checked

SMILES: O=C(O)[C@H](C1=CC=CC=C1)OC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-a-methoxy phenylacetic acid ] 1.04 0.30 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-a-methoxy-a-trifluoromethyl phenylacetic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
234.17 3 1 2.18 SF_C1088 None Not checked

SMILES: O=C(O)[C@@](C(F)(F)F)(OC)C1=CC=CC=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-a-methoxy-a-trifluoromethyl phenylacetic acid] 2.24 0.30 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-a-methoxy-a-trifluoromethylphenylacetic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
234.17 3 1 2.18 SF_C1559 None Not checked

SMILES: O=C(O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-a-methoxy-a-trifluoromethylphenylacetic acid ] 2.57 0.78 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-a-methoxy-a-trifluoromethylphenylacetic acid ] 2.15 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

(S)-a-methoxyphenylacetic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
166.17 3 1 1.46 SF_C1593 None Not checked

SMILES: CO[C@@H](C1=CC=CC=C1)C(=O)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-a-methoxyphenylacetic acid] 1.08 0.48 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-a-methoxyphenylacetic acid] 1.00 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

(S)-benzylglycidyl ether

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
164.20 2 0 1.60 SF_C1036 None Not checked

SMILES: C1[C@H](O1)COCC2=CC=CC=C2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-benzylglycidyl ether ] 2.37 1.08 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-camphanic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
182.26 2 1 2.53 SF_C1056 None Not checked

SMILES: CC1(C)C2CC[C@@]1(C)C(C2)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-camphanic acid] 2.25 0.30 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-camphanic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
182.26 2 1 2.53 SF_C1553 None Not checked

SMILES: CC1(C)C2CC[C@@]1(C)C(C2)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-camphanic acid ] 2.31 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-camphanic acid ] 2.32 0.48 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

(S)-camphorquinone-3-oxime
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
181.23 3 1 1.84 SF_C1060 None Not checked

SMILES: CC1(C)C2CC[C@]1(C)C(=O)C2=NO

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-camphorquinone-3-oxime] 3.42 1.60 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[(S)-camphorquinone-3-oxime] 3.39 1.48 4.8 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-hexahydromandelic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
158.19 3 2 1.01 SF_C1589 None Not checked

SMILES: C1CCC(CC1)[C@@H](C(=O)O)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-hexahydromandelic acid] 3.17 1.48 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-hexahydromandelic acid] 2.78 1.00 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

(S)-hexahydromandelic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
158.19 3 2 1.01 SF_C1078 None Not checked

SMILES: C1CCC(CC1)[C@@H](C(=O)O)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-hexahydromandelic acid ] 2.81 1.08 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-mandelic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
152.15 3 2 0.80 SF_C1591 None Not checked

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

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-mandelic acid] 1.64 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-mandelic acid] 0.95 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

(S)-mandelic acid

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
152.15 3 2 0.80 SF_C1082 None Not checked

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

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(S)-mandelic acid ] 1.04 0.30 6.9 25.0 Microcalorimetry Yoshihisa Inoue 2000

(S)-mandelic acid methyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
166.17 3 1 0.89 SF_C1602 None Not checked

SMILES: COC(=O)[C@H](C1=CC=CC=C1)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-mandelic acid methyl ester] 1.62 0.48 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-mandelic acid methyl ester] 1.86 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002