OpenMolDB

Cyclopentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.13	1	1	0.92				VR_C156	None		Not checked

SMILES: OC1CCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cyproterone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
416.94	4	0	4.61				NT_b0173	None		Not checked

SMILES: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cyproterone acetate]	3.43	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Cyproterone acetate]	3.80	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[g-Cyclodextrin](1).[Cyproterone acetate]	3.82	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[g-Cyclodextrin](2).[Cyproterone acetate]	1.08	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[Cyproterone acetate]	3.66	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](2).[Cyproterone acetate]	0.85	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Cyproterone acetate]	3.77	25.0	phase solubility	Sandrine Henry De Hassonville 2002
[Randomly methylated-b-Cyclodextrin (DS ~12)](2).[Cyproterone acetate]	1.28	25.0	phase solubility	Sandrine Henry De Hassonville 2002

D-Ala-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C572	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[D-Ala-D-Phe]	2.02				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Phe]	2.33				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Phe]	2.33	1.00	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Phe]	1.12	0.60	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Ala-D-Phe]	2.28				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Ala-D-Phe]	2.28	1.15	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Ala-D-Phe]	1.76	1.00	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Ala-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C687	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Ala-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C689	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[D-Ala-D-Phe]	1.61	0.85	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Ala-D-Tyr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	6	4	0.94				SF_C576	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=C(C=C1)O)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[D-Ala-D-Tyr]	2.24				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[D-Ala-D-Tyr]	2.00				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[D-Ala-D-Tyr]	1.49				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Ala-D-Tyr]	2.65				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Ala-D-Tyr]	2.65	1.73	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[D-Ala-D-Tyr]	1.63	0.90	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Tyr]	2.63				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Tyr]	2.63	1.56	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Ala-D-Tyr]	1.28	0.48	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Ala-D-Tyr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	6	4	0.94				SF_C681	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=C(C=C1)O)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Ala-D-Tyr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	6	4	0.94				SF_C693	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=C(C=C1)O)C(O)=O)[C@@H](C)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Ala-D-Tyr]	1.73	1.08	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
89.09	3	2	0.12				SF_C906	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Alanine]	3.31		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Alanine]	3.02		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

D-Amphetamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.21	1	1	2.28				nt0036	None		Not checked

SMILES: CC(N)Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[D-Amphetamine]	1.38			25.0		Kenneth A. Connors 1995

D-Arabinose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.13	5	4	-2.74				nt0952	None		Not checked

SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[D-Arabinose]	1.21			25.0		Kenneth A. Connors 1995

D-Arabinose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.13	5	4	-2.74				nt0953	None		Not checked

SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Asp-D-PheOMe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C578	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[D-Asp-D-PheOMe]	1.66				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[D-Asp-D-PheOMe]	1.92				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Asp-D-PheOMe]	2.72				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Asp-D-PheOMe]	2.72	1.68	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[D-Asp-D-PheOMe]	1.60	0.90	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Asp-D-PheOMe]	2.55				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Asp-D-PheOMe]	2.51	1.43	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Asp-D-PheOMe]	1.36	0.48	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Asp-D-PheOMe]	2.26				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Asp-D-PheOMe]	2.26	1.36	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Asp-D-PheOMe]	1.85	1.11	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Asp-D-PheOMe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C685	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Asp-D-PheOMe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C697	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref