OpenMolDB

BNS derivative 4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1333	None

SMILES: BNS

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD dimer derivative 1](1).[BNS derivative 4]	8.60	7.30	7.0	25.0	Fluorescence spectroscopy	Ronald Breslow 1990

BPA-polymer

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C139	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[BPA-polymer]	5.88		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[BPA-polymer]	5.18		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005

Barbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	5	2	0.82				nt0958	None		Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

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

Barbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	5	2	0.82				nt0959	None		Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Barbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	5	2	0.82				nt0960	None		Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Barbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	5	2	0.82				nt0961	None		Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Barbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	5	2	0.82				SF_C1803	None		Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Barbital]	3.97		5.5	25.0	Calorimetry	Hatsumi Aki 2001

Barbital anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0962	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Barbital anion]	2.00			25.0		Kenneth A. Connors 1995

Barbital anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0963	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Barbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.09	5	2	-0.60				SF_C1802	None		Not checked

SMILES: O=C1CC(=O)NC(=O)N1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Barbituric acid]	3.94		5.5	25.0	Calorimetry	Hatsumi Aki 2001

Beclomethasone dipropionate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
521.04	7	1	4.09				nt0048	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Beclomethasone dipropionate]	2.55			25.0		Kenneth A. Connors 1995

Beclomethasone dipropionate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
521.04	7	1	4.09				nt0964	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Beclomethasone dipropionate]	3.05			25.0		Kenneth A. Connors 1995

Beclomethasone dipropionate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
521.04	7	1	4.09				nt1852	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Beclomethasone dipropionate]	3.80			25.0		Kenneth A. Connors 1995

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt0049	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Bencyclane]	0.30			25.0		Kenneth A. Connors 1995

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt0965	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Bencyclane]	4.90			25.0		Kenneth A. Connors 1995