12-crown-4
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
176.21 4 0 0.07 SF_C1396 None Not checked

SMILES: C1COCCOCCOCCO1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[12-crown-4] 1.04 7.6 25.0 NMR diffusion measurements Yoram Cohen 1997
[g-Cyclodextrin](1).[12-crown-4] 1.32 2.0 25.0 NMR diffusion measurements Yoram Cohen 1997
[g-Cyclodextrin](1).[12-crown-4] 1.49 14.0 25.0 NMR diffusion measurements Yoram Cohen 1997
[g-Cyclodextrin](1).[12-crown-4] 1.00 25.0 NMR diffusion measurements Yoram Cohen 1997

13-cis-retinoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
300.44 2 1 5.60 NT_b0179 None Not checked

SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)(C)CCC1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[13-cis-retinoic acid] 1.71 5.9 phase solubility P.C. Ho 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[13-cis-retinoic acid] 4.13 7.4 phase solubility P.C. Ho 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[13-cis-retinoic acid] 3.91 8.1 phase solubility P.C. Ho 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[13-cis-retinoic acid] 2.71 5.9 phase solubility P.C. Ho 2005

16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
370.48 8 0 4.19 JN_74 None Not checked

SMILES: CC([C@@]1(OC(C)=O)C(C[C@@]2([H])[C@]3([H])CCC4=CC(CC[C@]4([H])[C@@]3([H])CC[C@]12C)=O)=C)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 2.74 7.4 65.0 HPLC Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 3.33 2.33 30.0 Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 3.28 2.24 37.0 Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 2.99 1.68 45.0 Sayed M. Ahmed 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 2.97 7.4 65.0 HPLC Sayed M. Ahmed 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 3.45 2.44 30.0 Sayed M. Ahmed 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 3.36 2.18 37.0 Sayed M. Ahmed 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 3.05 1.56 45.0 Sayed M. Ahmed 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione] 2.97 HPLC Sayed M. Ahmed 1997

16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
370.48 8 0 4.19 SF_C1402 None Not checked

SMILES: CC([C@@]1(OC(C)=O)C(C[C@@]2([H])[C@]3([H])CCC4=CC(CC[C@]4([H])[C@@]3([H])CC[C@]12C)=O)=C)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.64 2.44 7.4 30.0 UV-vis spectroscopy Sayed M. Ahmed 1998
[b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.47 2.36 7.4 37.0 UV-vis spectroscopy Sayed M. Ahmed 1998
[b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.19 1.95 7.4 45.0 UV-vis spectroscopy Sayed M. Ahmed 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.45 2.44 7.4 30.0 UV-vis spectroscopy Sayed M. Ahmed 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.36 2.18 7.4 37.0 UV-vis spectroscopy Sayed M. Ahmed 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[16-methylene-17a-acetoxy-19-norpregn-4-ene-3,20-dione] 3.05 1.56 7.4 45.0 UV-vis spectroscopy Sayed M. Ahmed 1998

1’,3’,3’-trimethylspiro[2H-1-benzopyran-2,2’-indoline]-6-sulphonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
356.42 4 0 4.27 SF_C665 None Not checked

SMILES: CN1c2ccccc2C(C)(C)C13Oc4ccc(cc4C=C3)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[1’,3’,3’-trimethylspiro[2H-1-benzopyran-2,2’-indoline]-6-sulphonate] 3.33 2.78 6.9 40.0 UV-vis spectroscopy Yoshimi Sueishi 2005
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[1’,3’,3’-trimethylspiro[2H-1-benzopyran-2,2’-indoline]-6-sulphonate] 2.24 0.85 6.9 40.0 UV-vis spectroscopy Yoshimi Sueishi 2005

2',3'-dideoxyadenosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
235.24 6 2 0.66 NT_c0209 None Not checked

SMILES: Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2',3'-dideoxyadenosine] 1.75 0.43 4.0 UV spectrophotometry Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2',3'-dideoxyadenosine] 1.68 0.41 25.0 UV spectrophotometry Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2',3'-dideoxyadenosine] 1.56 0.30 37.0 UV spectrophotometry Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2',3'-dideoxyadenosine] 1.44 0.20 50.0 UV spectrophotometry Bradley D. Anderson 1990

2',3'-dideoxyadenosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
235.24 6 2 0.66 NT_c0210 None Not checked

SMILES: Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3

Supramolecules

Namelog KSDpHT(°C)MethodRef

2'-hydroxy-2-trans-styrylquinoline
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
247.29 2 1 4.11 JN_M_1 None Not checked

SMILES: OC1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C=C2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](2).[2'-hydroxy-2-trans-styrylquinoline] 4.06 UV-Vis spectroscopy, fluorescence spectroscopy Shun-Li Wang 2005

2'-methoxy-2-trans-styrylquinoline
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
261.32 2 0 4.41 JN_M_2 None Not checked

SMILES: COC1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C=C2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](2).[2'-methoxy-2-trans-styrylquinoline] 3.51 UV-Vis spectroscopy, fluorescence spectroscopy Shun-Li Wang 2005

2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0124 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[brilliant green] 3.59 7.2 25.0 UV-vis spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[methyl orange] 4.36 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[acridine red] 4.47 7.2 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[acridine red] 4.49 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[Rhodamine B] 4.43 7.2 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[rhodamine B] 4.44 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonic acid] 3.23 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[sodium 6-(p-toludino)-2-naphthalenesulfonate] 4.02 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[guest compound 8] 4.20 3.00 7.0 25.0 Fluorescence spectroscopy David S. Lawrence 1994
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[guest compound 9] 4.30 3.00 7.0 25.0 Fluorescence spectroscopy David S. Lawrence 1994
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[guest compound 10] 5.54 4.00 7.0 25.0 Fluorescence spectroscopy David S. Lawrence 1994
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[guest compound 11] 6.79 5.78 7.0 25.0 Fluorescence spectroscopy David S. Lawrence 1994
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[guest compound 12] 7.20 6.30 7.0 25.0 Fluorescence spectroscopy David S. Lawrence 1994

2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0025 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[methyl orange] 4.57 7.2 25.0 Circular dichroism spectroscopy Yoshihisa Inoue 1999
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[mordant orange 1] 3.91 7.2 25.0 Circular dichroism spectroscopy Yoshihisa Inoue 1999
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[sodium 2-(p-toluidinyl)naphthalene-6-sulfonate] 3.98 7.2 25.0 Fluorescence spectroscopy Yoshihisa Inoue 1999
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonate] 3.23 7.2 25.0 Fluorescence spectroscopy Yoshihisa Inoue 1999