OpenMolDB

Oxalic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
89.03	3	1	-2.18				nt0738	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Oxalic acid anion]	0.38			25.0		Kenneth A. Connors 1995

Oxazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
286.71	4	2	2.02				nt0739	None		Not checked

SMILES: OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Oxazepam]	1.64			25.0		Kenneth A. Connors 1995

Oxazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
286.71	4	2	2.02				nt1652	None		Not checked

SMILES: OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Oxazepam]	2.23			25.0		Kenneth A. Connors 1995

Oxazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
286.71	4	2	2.02				nt1967	None		Not checked

SMILES: OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Oxazepam]	1.65			25.0		Kenneth A. Connors 1995

PBN

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
177.24	0	0	2.94				VR_C171	None		Not checked

SMILES: CC(C)(C)[N+]([O-])=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[PBN]	1.71	0.60		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[PBN]	1.90	0.85		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005

PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C172	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[PBNOH]	1.48	0.30		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[PBNOH]	1.76	0.70		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005

PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_387	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[PBNOH]	1.76				NMR spectroscopy	Paul Tordo 2004

PBNdiOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_389	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[PBNdiOH]	1.51				NMR spectroscopy	Paul Tordo 2004

PBNtriOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_390	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[PBNtriOH]	1.54				NMR spectroscopy	Paul Tordo 2004

PEBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_394	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[PEBNOH]	2.37				NMR spectroscopy	Paul Tordo 2004

PEG1000

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
62.07	2	2	-1.03				SF_C1476	None		Not checked

SMILES: C(CO)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[PEG1000 ]	2.51		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000
[b-Cyclodextrin](1).[PEG1000 ]	3.17		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000

PGE1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
354.48	5	3	3.48				JN_383	None		Not checked

SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[PGE1]	3.09	2.57		25.0	conductometry	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.59			27.0	NMR spectroscopy	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.87	1.78		27.0	conductometry	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.79	1.81		30.0	conductometry	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.74	1.72		37.0	conductometry	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.85	1.81	7.2	27.0	capillary electrophoresis	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.81	1.71	7.2	30.0	capillary electrophoresis	Tore Ramstad 2005
[a-Cyclodextrin](1).[PGE1]	2.73	1.43	7.2	37.0	capillary electrophoresis	Tore Ramstad 2005

PHP-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0252	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[PHP-b-CD](1).[acridine red]	3.40		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

Parsol MCX

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
290.40	3	0	4.47				NT_c0245	None		Not checked

SMILES: CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1

Supramolecules

Name	log K	SD	pH	Method	Ref
[βCD-co-epichlorhydrin polymer](1).[Parsol MCX]	3.90	3.08	7.0	Higuchi and Connors method	Noelle Martine Gosselet 2002
[βCD-co-epichlorhydrin polymer partially modified with trimethylammonium groups (pβCD/EPN+).](1).[Parsol MCX]	3.67	2.85	5.6	Higuchi and Connors method	Noelle Martine Gosselet 2002
[g-Cyclodextrin](1).[Parsol MCX]	3.17	2.34	7.0	Higuchi and Connors method	Noelle Martine Gosselet 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Parsol MCX]	2.36	1.54	7.0	Higuchi and Connors method	Noelle Martine Gosselet 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[Parsol MCX]	2.30	1.48	7.0	Higuchi and Connors method	Noelle Martine Gosselet 2002

Pb(II) nitrate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1632	None

SMILES: [O-][N+](=O)O[Pb]O[N+]([O-])=O

Supramolecules

Name	log K	SD	Method	Ref
[a-Cyclodextrin](1).[Pb(II) nitrate]	2.95	1.13	Cyclic voltammetry	Maria Teresa Ramirez-Silva 2005
[b-Cyclodextrin](1).[Pb(II) nitrate]	2.86	1.31	Cyclic voltammetry	Maria Teresa Ramirez-Silva 2005
[g-Cyclodextrin](1).[Pb(II) nitrate]	2.89	1.03	Cyclic voltammetry	Maria Teresa Ramirez-Silva 2005