OpenMolDB

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1982	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1983	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1984	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1985	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1986	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	0	0	4.58				nt1987	None		Not checked

SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pyridine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
79.10	1	0	1.08				nt0826	None		Not checked

SMILES: c1ccncc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Pyridine]	2.20			25.0		Kenneth A. Connors 1995

Quinoline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
129.16	1	0	2.23				nt0827	None		Not checked

SMILES: c1ccc2ncccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Quinoline]	1.46			25.0		Kenneth A. Connors 1995

R-(-)-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1708	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-a-Cyclodextrin](1).[R-(-)-]	3.53	1.90	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005
[Sulfated-b-Cyclodextrin](1).[R-(-)-]	3.20	1.51	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005

R-(-)-3-amino-2-(4-chlorophenyl)-2-hydroxy-propylsulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
265.71	5	3	2.16				SF_C1715	None		Not checked

SMILES: O=S(C[C@@](O)(C1=CC=C(Cl)C=C1)CN)(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-a-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)-2-hydroxy-propylsulfonic acid]	2.01	0.95	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005
[Sulfated-b-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)-2-hydroxy-propylsulfonic acid]	2.13	1.11	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005

R-(-)-3-amino-2-(4-chlorophenyl)propylphosphonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
249.63	4	3	2.26				SF_C1710	None		Not checked

SMILES: OP(C[C@H](C1=CC=C(Cl)C=C1)CN)(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-a-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)propylphosphonic acid]	2.34	1.18	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005
[Sulfated-b-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)propylphosphonic acid]	2.24	0.95	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005

R-(-)-3-amino-2-(4-chlorophenyl)propylsulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
249.71	4	2	3.05				SF_C1712	None		Not checked

SMILES: O=S(C[C@H](C1=CC=C(Cl)C=C1)CN)(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-a-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)propylsulfonic acid]	2.02	1.15	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005
[Sulfated-b-Cyclodextrin](1).[R-(-)-3-amino-2-(4-chlorophenyl)propylsulfonic acid]	2.17	1.08	2.5	25.0	Capillary electrophoresis	Claude Vaccher 2005

R-1-T3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C211	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[R-1-T3]	1.31					George W. Gokel 2003

R-1-T3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C225	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[R-1-T3]	2.47					George W. Gokel 2003

R-1-T5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C313	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[R-1-T5]	1.41					George W. Gokel 2003