OpenMolDB

phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				NT_c0230	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolphthalein]	4.16	2.00	7.0		FIG method	Chieu D. Tran 1998
[b-Cyclodextrin](1).[phenolphthalein]	4.35		10.5		FIG method	Chieu D. Tran 1998
[b-Cyclodextrin](1).[phenolphthalein]	4.49		10.4		VIS spectroscopy	Tsuneo Okubo 1989
[b-Cyclodextrin](1).[phenolphthalein]	4.08	3.20	10.5	25.0	UV/VIS spectroscopy	Bruno Szpoganicz 2001

phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				SF_C408	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-p-toluenesulfonyl–b-CD derivatives](1).[phenolphthalein]	2.66		9.2	25.0	UV-vis spectroscopy	Victor Chechik 2005

phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				VR_C069	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenolphthalein]	2.03		10.4		VIS spectroscopy	Tsuneo Okubo 1989

phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				VR_C28	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]	3.31	2.15	10.5	25.0	UV/VIS spectroscopy	Bruno Szpoganicz 2001

phenolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				SF_C897	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolphthalein ]	4.38	3.30	10.5	23.5	Gradient flow injection spectrophotometric technique	Michael A. Koupparis 1995

phenolphthalein-modified b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0321	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[phenolphthalein-modified b-CD](1).[ursodeoxycholic acid ]	5.59	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[chenodeoxycholic acid ]	5.14	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[deoxycholic acid ]	4.21	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[1-adamantanecarboxylic acid]	4.70	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[1-adamantanol]	4.98	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[d-fenchone]	3.65	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[l-fenchone ]	3.65	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[d-camphor]	3.84	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[l-camphor]	4.09	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[d-menthol ]	4.35	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998
[phenolphthalein-modified b-CD](1).[l-menthol ]	4.43	9.4	25.0	Absorption and induced circular dichroism spectroscopy	Tetsuo Kuwabara 1998

phenolphthaleinmodified-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C888	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolphthaleinmodified-b-CD]	2.90		10.8	25.0	Induced circular dichroism	Tetsuo Kuwabara 2002

phenolphthelein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1010	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolphthelein]	4.43	2.90	10.5	25.0	Fluorescence spectroscopy	Xinzhen Du 2006

phenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	0	1.61				SF_C447	None		Not checked

SMILES: CC(=O)Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenyl acetate]	0.84	0.08	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[phenyl acetate]	2.03	0.72	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[phenyl acetate]	1.15	0.20	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenyl acetate]	2.05	0.86	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenyl acetate]	0.81	-0.22	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenyl acetate]	0.66	0.26	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenyl acetate]	0.41	-0.70	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenyl acetate]	0.78	0.56	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenyl acetate]	1.82	0.73	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenyl acetate]	1.39	0.92	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006

phenyl hydrogen maleate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
192.17	4	1	1.23				SF_C31	None		Not checked

SMILES: OC(=O)\C=C/C(=O)Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenyl hydrogen maleate]	2.02	1.48	2.0	25.0	UV/VIS spectrometry	Rita H. de Rossi 2005

phenyl-phthalamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
241.24	4	2	2.85				SF_C794	None		Not checked

SMILES: NC(=O)c1c(cccc1c2ccccc2)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenyl-phthalamic acid]	1.57	0.48	2.0	25.0	UV-vis spectroscopy	Rita H. de Rossi 2001

phenylacetylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	0	0	1.67				SF_C545	None		Not checked

SMILES: C#Cc1ccccc1

Supramolecules

Name	log K	Ref
[a-Cyclodextrin](1).[phenylacetylene]	2.27	Kasi Pitchumani 2005
[b-Cyclodextrin](1).[phenylacetylene]	2.42	Kasi Pitchumani 2005
[g-Cyclodextrin](1).[phenylacetylene]	2.48	Kasi Pitchumani 2005

phenyladamantyl-modified MPEG

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C943	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[phenyladamantyl-modified MPEG]	2.64	1.58	7.0	25.0	Affinity capillary electrophoresis	Carole Karakasyan 2004

phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.19	3	2	1.34				SF_C1248	None		Not checked

SMILES: N[C@@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenylalanine]	1.02	0.79	6.0	20.0	Fluorescence spectroscopy	Wieslaw Wiczk 2005
[b-Cyclodextrin](1).[phenylalanine]	1.84	0.85	7.0	30.0	NMR spectroscopy	Akira Harada 2006

phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.19	3	2	1.34				SF_C194	None		Not checked

SMILES: N[C@@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenylalanine]	1.20	0.70	7.0	30.0	NMR spectroscopy	Akira Harada 2006
[g-Cyclodextrin](1).[phenylalanine]	0.48		7.0	30.0	NMR spectroscopy	Akira Harada 2006