OpenMolDB

D-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				NT_b0136	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[D-valine]	3.33		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[D-valine]	3.34		7.2	25.0	Calorimetry	Yu Liu 1998

D-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				JN_321	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[D-valine]	3.15		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

D9,11-betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C789	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[D9,11-betamethasone]	3.00				HPLC-method	Nicholas H. Snow 2001

DIMEA

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0053	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[DIMEA](1).[cyclosporin A]	3.03	7.0	25.0	HPLC-method	Kaneto Uekama 1999
[DIMEA](2).[cyclosporin A]	1.18	7.0	25.0	HPLC-method	Kaneto Uekama 1999
[DIMEA](1).[iodine]	4.20	7.0	25.0	Sodium thiosulfate titration	Lajos Szente 1999
[DIMEA](1).[benzoic acid]	2.74		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[m-hydroxybenzoic acid]	3.06		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[p-hydroxybenzoic acid]	2.98		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[m-nitrophenol]	2.82		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[p-nitrophenol]	2.87		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[m-nitroaniline]	3.05		25.0	circular dichroism	Yoshihisa Inoue 1993
[DIMEA](1).[p-nitroaniline]	3.48		25.0	circular dichroism	Yoshihisa Inoue 1993

DL-norleucine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
131.17	3	2	1.29				JN_257	None		Not checked

SMILES: CCCCC(N)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DL-norleucine]	0.80	0.08	9.88	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

DL-norvaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.90				JN_256	None		Not checked

SMILES: CCCC(N)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DL-norvaline]	-0.40		9.88	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

DM17

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C179	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DM17]	2.48	2.5	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005
[b-Cyclodextrin](1).[DM17]	1.95	7.0	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005
[b-CDN+ copolymer](1).[DM17]	1.70	2.5	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005
[b-CDN+ copolymer](1).[DM17]	2.20	7.0	25.0	Fluorescence spectroscopy	Noelle Martine Gosselet 2005

DNP-D-leucine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
297.26	5	2	3.53				SF_C1267	None		Not checked

SMILES: CC(C)C[C@H](C(O)=O)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-D-leucine ]	3.06	2.32	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-leucine ]	3.33	2.40	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-leucine ]	3.39		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

DNP-D-methionine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.30	6	2	3.24				SF_C1269	None		Not checked

SMILES: CSCC[C@H](C(O)=O)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-D-methionine]	3.25	2.40	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-methionine]	3.33	2.61	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-methionine]	3.47		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

DNP-D-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
283.24	5	2	3.14				SF_C1265	None		Not checked

SMILES: CC(C)[C@H](C(O)=O)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-D-valine ]	3.37	2.23	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-valine ]	3.51	1.70	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-D-valine ]	3.53		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

DNP-L-leucine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
297.26	5	2	3.53				SF_C1266	None		Not checked

SMILES: CC(C)CC(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-L-leucine ]	4.85	3.61	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-leucine ]	3.22	2.30	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-leucine ]	3.18		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

DNP-L-methionine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
315.30	6	2	3.24				SF_C1268	None		Not checked

SMILES: CSCC[C@@H](C(O)=O)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-L-methionine ]	3.14	2.28	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-methionine ]	3.12	1.85	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-methionine ]	3.39		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

DNP-L-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
283.24	5	2	3.14				SF_C1264	None		Not checked

SMILES: CC(C)C(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[DNP-L-valine ]	3.25	2.00	6.0	25.0	UV-vis spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-valine ]	3.45	1.70	6.0	21.0	Circular dichroism spectroscopy	William C. Purdy 1992
[b-Cyclodextrin](1).[DNP-L-valine ]	3.45		11.0	20.0	NMR spectroscopy	William C. Purdy 1992

Dansyl D-alanine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.37	5	1	1.79				nt1145	None		Not checked

SMILES: C[C@H](C([O-])=O)NS(C1=CC=CC2=C(C=CC=C21)N(C)C)(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dansyl D-alanine anion]	2.25			25.0		Kenneth A. Connors 1995

Dansyl L-alanine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.37	5	1	1.79				nt1146	None		Not checked

SMILES: C[C@@H](C([O-])=O)NS(C1=CC=CC2=C(C=CC=C21)N(C)C)(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dansyl L-alanine anion]	2.16			25.0		Kenneth A. Connors 1995