OpenMolDB

Flurazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
387.88	4	0	3.51				nt1927	None		Not checked

SMILES: CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Flurazepam]	2.11			25.0		Kenneth A. Connors 1995

Flurazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
387.88	4	0	3.51				SF_C1731	None		Not checked

SMILES: CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Flurazepam ]	1.00	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[b-Cyclodextrin](1).[Flurazepam ]	2.08	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[g-Cyclodextrin](1).[Flurazepam ]	2.11	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Flurbiprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.26	2	1	3.68				nt0409	None		Not checked

SMILES: CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Flurbiprofen]	1.30			25.0		Kenneth A. Connors 1995

Flurbiprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.26	2	1	3.68				nt1339	None		Not checked

SMILES: CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Flurbiprofen]	3.71		25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Flurbiprofen]	3.23	4.5	25.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[Flurbiprofen]	3.16	4.5	37.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[Flurbiprofen]	2.77	5.5	25.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[Flurbiprofen]	2.73	5.5	37.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[Flurbiprofen]	3.78	5.5	25.0	Capillary electrophoresis	P. Mura 2005
[b-Cyclodextrin](1).[Flurbiprofen]	3.62	5.5	37.0	Capillary electrophoresis	P. Mura 2005

Flurbiprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.26	2	1	3.68				nt1928	None		Not checked

SMILES: CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Flurbiprofen]	2.66			25.0		Kenneth A. Connors 1995

Flurbiprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.26	2	1	3.68				SF_C1638	None		Not checked

SMILES: CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	4.06	4.5	25.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.98	4.5	37.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.17	5.5	25.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.04	5.5	37.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.43	4.5	37.0	Membrane permeation technique	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.98	5.5	25.0	Capillary electrophoresis	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Flurbiprofen]	3.87	5.5	37.0	Capillary electrophoresis	P. Mura 2005

Flurbiprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0410	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Flurbiprofen anion]	1.84			25.0		Kenneth A. Connors 1995

Flurbiprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1340	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Flurbiprofen anion]	3.29			25.0		Kenneth A. Connors 1995

Flurbiprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1341	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Flurbiprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1342	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Flurbiprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1929	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Flurbiprofen anion]	3.48			25.0		Kenneth A. Connors 1995

Formic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
46.03	2	1	0.34				nt0411	None		Not checked

SMILES: OC=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Formic acid]	0.61			25.0		Kenneth A. Connors 1995

Fumaric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.07	4	2	-0.29				nt0413	None		Not checked

SMILES: OC(=O)/C=C/C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Fumaric acid]	3.57			25.0		Kenneth A. Connors 1995

Fumaric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
115.06	3	1	-1.62				nt0414	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Fumaric acid anion]	2.30			25.0		Kenneth A. Connors 1995

Furosemide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
330.74	6	3	3.74				nt1343	None		Not checked

SMILES: N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Furosemide]	1.79			25.0		Kenneth A. Connors 1995