OpenMolDB

Clobazam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
300.74	4	0	3.50				SF_C1735	None		Not checked

SMILES: CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Clobazam ]	1.00	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[b-Cyclodextrin](1).[Clobazam ]	1.69	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[g-Cyclodextrin](1).[Clobazam ]	1.56	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Clonazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.71	4	1	3.13				nt0211	None		Not checked

SMILES: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Clonazepam]	1.34			25.0		Kenneth A. Connors 1995

Clonazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.71	4	1	3.13				nt1103	None		Not checked

SMILES: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Clonazepam]	1.90			25.0		Kenneth A. Connors 1995

Clonazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.71	4	1	3.13				nt1877	None		Not checked

SMILES: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Clonazepam]	1.76			25.0		Kenneth A. Connors 1995

Clonazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.71	4	1	3.13				SF_C1730	None		Not checked

SMILES: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Clonazepam ]	1.34	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[b-Cyclodextrin](1).[Clonazepam ]	1.90	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[g-Cyclodextrin](1).[Clonazepam ]	1.76	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Co(II)-A-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0045	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Co(II)-A-b-CD](1).[R-26-T3]	3.60					George W. Gokel 2003
[Co(II)-A-b-CD](1).[S-26-T3]	3.69					George W. Gokel 2003

Co2+

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_395	None

SMILES: [Co++]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6A-(3-Aminopropylamino)-6A-deoxy-BCD](1).[Co2+]	4.22	0.02		25.0	pH titration	Stephen F. Lincoln 1994
[protonated form of 6A-(3-Aminopropylamino)-6A-deoxy-BCD](1).[Co2+]	2.50	0.20		25.0	pH titration	Stephen F. Lincoln 1994

Congo Red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
696.66	10	2	10.79				nt1104	None		Not checked

SMILES: [Na+].[Na+].Nc1c(cc(c2ccccc12)[S]([O-])(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Congo Red]	3.22			25.0		Kenneth A. Connors 1995

Congo Red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
696.66	10	2	10.79				nt1878	None		Not checked

SMILES: [Na+].[Na+].Nc1c(cc(c2ccccc12)[S]([O-])(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Congo Red]	4.24			25.0		Kenneth A. Connors 1995

Cortisone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	2	1.99				nt0212	None		Not checked

SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Cortisone]	1.80			25.0		Kenneth A. Connors 1995

Cortisone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	2	1.99				nt1105	None		Not checked

SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cortisone]	3.42			25.0		Kenneth A. Connors 1995

Cortisone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	2	1.99				nt1106	None		Not checked

SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cortisone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	2	1.99				nt1879	None		Not checked

SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Cortisone]	3.34			25.0		Kenneth A. Connors 1995

Cortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
402.48	6	1	2.56				nt0213	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Cortisone acetate]	1.93			25.0		Kenneth A. Connors 1995

Cortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
402.48	6	1	2.56				nt1107	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cortisone acetate]	3.62			25.0		Kenneth A. Connors 1995