OpenMolDB

Phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				nt1706	None		Not checked

SMILES: Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				nt1707	None		Not checked

SMILES: Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				nt1708	None		Not checked

SMILES: Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				nt1974	None		Not checked

SMILES: Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Phenolphthalein]	3.27			25.0		Kenneth A. Connors 1995

Phenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	0	1.61				nt0787	None		Not checked

SMILES: CC(=O)Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Phenyl acetate]	1.66			25.0		Kenneth A. Connors 1995

Phenylbutazone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.37	4	0	3.92				nt0790	None		Not checked

SMILES: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Phenylbutazone]	2.85			25.0		Kenneth A. Connors 1995

Phenylbutazone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.37	4	0	3.92				nt1714	None		Not checked

SMILES: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Phenylbutazone]	2.85			25.0		Kenneth A. Connors 1995

Phenylbutazone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.37	4	0	3.92				nt1715	None		Not checked

SMILES: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Phloridzin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
436.41	10	7	-0.20				nt1726	None		Not checked

SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Phloridzin]	3.01			25.0		Kenneth A. Connors 1995

Phloridzin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
436.41	10	7	-0.20				nt1975	None		Not checked

SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Phloridzin]	2.61			25.0		Kenneth A. Connors 1995

Pimelic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.17	4	2	1.11				nt0791	None		Not checked

SMILES: OC(=O)CCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Pimelic acid]	2.87			25.0		Kenneth A. Connors 1995

Pimelic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.17	4	2	1.11				nt0792	None		Not checked

SMILES: OC(=O)CCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Pindolol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
248.32	3	3	2.30				SF_C173	None		Not checked

SMILES: CC(C)NCC(O)COc1cccc2[nH]ccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Pindolol]	1.71	0.30	7.0	18.0	HPLC-method	Arantza Zornoza 2005
[b-Cyclodextrin](1).[Pindolol]	1.87	0.70	12.0	25.0	HPLC-method	Arantza Zornoza 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Pindolol]	1.76	0.48	12.0	25.0	HPLC-method	Arantza Zornoza 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Pindolol]	2.04	1.08	12.0	25.0	HPLC-method	Arantza Zornoza 2005
[g-Cyclodextrin](1).[Pindolol]	1.58	0.85	12.0	25.0	HPLC-method	Arantza Zornoza 2005

Piperidine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
85.15	1	1	1.09				nt1727	None		Not checked

SMILES: C1CCNCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Piperidine]	1.71			25.0		Kenneth A. Connors 1995

Poly(isobutene-alt-maleic acid)s modified with adamantyl groups

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C924	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Poly(isobutene-alt-maleic acid)s modified with adamantyl groups]	3.30	2.48	7.5	25.0	Affinity capillary electrophoresis	Bart Jan Ravoo 2002