OpenMolDB

Ad-PEG-OCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C182	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Ad-PEG-OCH3]	3.72	2.83	7.0		HPLC-method	M. C. Millot 2006

AdEt2Re (adamantoxyethyl-rhenium complex)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_374	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bridged BCD dimer (B2dans)](1).[AdEt2Re (adamantoxyethyl-rhenium complex)]	9.00		7.0		NMR spectroscopy	David N. Reinhoudt 2001

Adamantane-2-one-1-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0899	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Adamantane-2-one-1-carboxylic acid anion]	2.92			25.0		Kenneth A. Connors 1995

Adenine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.13	4	2	0.52				SF_C1762	None		Not checked

SMILES: Nc1ncnc2nc[nH]c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Adenine ]	0.51	-0.30	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990
[b-Cyclodextrin](1).[Adenine ]	1.15		7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Adenine ]	1.02	0.15	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990

Adenosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
267.24	8	4	-1.40				SF_C1764	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Adenosine]	1.12		7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Adenosine]	1.10	0.18	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990

Adenosine 5'-monophosphate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
346.21	10	4	-0.84				nt0900	None		Not checked

SMILES: O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)N)O3)O)[C@H]3COP([O-])(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Adenosine 5'-monophosphate anion]	1.61			25.0		Kenneth A. Connors 1995

Adiphenine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
347.88	3	0	0.71				nt0017	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Adiphenine]	1.06			25.0		Kenneth A. Connors 1995

Adiphenine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
347.88	3	0	0.71				nt0901	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Adiphenine]	3.44			25.0		Kenneth A. Connors 1995

Adiphenine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
347.88	3	0	0.71				nt1844	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Adiphenine]	2.61			25.0		Kenneth A. Connors 1995

Adiphenine HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
347.88	3	1	4.51				SF_C1800	None		Not checked

SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Adiphenine HCl ]	2.81	1.63	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Adiphenine HCl ]	3.44	2.24	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Adiphenine HCl ]	1.06	-0.10	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Adiphenine HCl ]	2.61	0.88	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Adipic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.14	4	2	0.72				nt0018	None		Not checked

SMILES: OC(=O)CCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Adipic acid]	2.51			25.0		Kenneth A. Connors 1995

Adipic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
145.13	3	1	-0.62				nt0019	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Adipic acid anion]	2.18			25.0		Kenneth A. Connors 1995

Aflatoxin B1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.27	5	0	2.28				SF_C928	None		Not checked

SMILES: COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14

Supramolecules

Name	log K	SD	pH	Method	Ref
[b-Cyclodextrin](1).[Aflatoxin B1]	2.60	1.81	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[Aflatoxin B1]	2.95	1.96	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Succinylated-b-Cyclodextrin (DS ~3.5)](1).[Aflatoxin B1]	2.98	1.74	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003

Aflatoxin B2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
314.29	5	0	2.15				SF_C931	None		Not checked

SMILES: COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCC5=O)c14

Supramolecules

Name	log K	SD	pH	Method	Ref
[b-Cyclodextrin](1).[Aflatoxin B2]	2.44	1.66	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[Aflatoxin B2]	2.56	1.82	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Succinylated-b-Cyclodextrin (DS ~3.5)](1).[Aflatoxin B2]	2.73	1.74	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003

Aflatoxin G1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
328.27	6	0	1.86				SF_C929	None		Not checked

SMILES: COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14

Supramolecules

Name	log K	SD	pH	Method	Ref
[b-Cyclodextrin](1).[Aflatoxin G1]	2.38	1.59	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[Aflatoxin G1]	2.89	1.94	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003
[Succinylated-b-Cyclodextrin (DS ~3.5)](1).[Aflatoxin G1]	2.82	1.65	7.0	Fluorescence spectroscopy	Rosangela Marchelli 2003