OpenMolDB

D-Norvaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.90				nt0728	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[D-Norvaline]	1.08			25.0		Kenneth A. Connors 1995

D-Phe-D-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C580	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Ala]	2.40				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Ala]	2.40	1.43	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Ala]	1.65	0.59	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Ala]	2.10				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Ala]	2.10	1.30	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Ala]	1.73	0.90	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Phe-D-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C679	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Phe-D-Ala]	1.95	1.26	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Phe-D-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C691	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Phe-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C574	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](CC2=CC=CC=C2)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[D-Phe-D-Phe]	2.19				Capillary electrophoresis	Bezhan Chankvetadze 2004
[b-Cyclodextrin](1).[D-Phe-D-Phe]	1.64				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[D-Phe-D-Phe]	1.75				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Phe]	2.51				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Phe]	2.51	1.57	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[D-Phe-D-Phe]	1.54	0.85	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Phe-D-Phe]	2.37				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Phe-D-Phe]	2.37	1.32	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[D-Phe-D-Phe]	1.32	1.04	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Phe]	2.51				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Phe]	2.51	1.74	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[D-Phe-D-Phe]	1.83	0.70	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

D-Phe-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C683	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](CC2=CC=CC=C2)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-Phe-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C695	None		Not checked

SMILES: O=C(N[C@H](CC1=CC=CC=C1)C(O)=O)[C@@H](CC2=CC=CC=C2)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

D-PheO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C75	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[copper(II) complex of 6-deoxy-6-N-histamine-b-CD](1).[D-PheO-]	15.85			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994

D-Ribose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.13	5	4	-2.74				nt1764	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-Ribose]	0.72			25.0		Kenneth A. Connors 1995

D-Serine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
105.09	4	3	-0.91				SF_C908	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Serine]	3.38		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Serine]	3.31		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

D-Tryptophan

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
204.23	3	3	1.82				SF_C921	None		Not checked

SMILES: N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[D-Tryptophan]	1.40	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(3-pyridinecarboxylate)](1).[D-Tryptophan]	3.62	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(4-pyridine-carboxylate)](1).[D-Tryptophan]	3.85	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(benzoate)](1).[D-Tryptophan]	3.57	7.2	25.0	Fluorometric titrations	Yu Liu 2001

D-TyrO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C77	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[copper(II) complex of 6-deoxy-6-N-histamine-b-CD](1).[D-TyrO-]	15.22			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994

D-Valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				SF_C910	None		Not checked

SMILES: CC(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-Valine]	2.89		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Valine]	2.80		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

D-Xylose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.13	5	4	-2.74				nt0875	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
[a-Cyclodextrin](1).[D-Xylose]	1.57			25.0		Kenneth A. Connors 1995

D-Xylose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.13	5	4	-2.74				nt1839	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-Xylose]	1.22			25.0		Kenneth A. Connors 1995