OpenMolDB

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1231	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-t-Boc-D-alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
188.20	4	1	0.04				SF_C1568	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-t-Boc-D-alanine ]	2.84	1.40	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-t-Boc-D-alanine ]	2.59	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-t-Boc-D-alanine methyl ester

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
203.24	5	1	1.46				SF_C1594	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-t-Boc-D-alanine methyl ester]	2.60	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-t-Boc-D-alanine methyl ester]	2.82	0.78	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-t-Boc-L-alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
189.21	5	2	1.38				SF_C1569	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-t-Boc-L-alanine]	2.77	1.18	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-t-Boc-L-alanine]	2.56	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-t-Boc-L-alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
189.21	5	2	1.38				SF_C1044	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-t-Boc-L-alanine ]	2.59	0.60	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

N-t-Boc-L-alanine methyl ester

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
203.24	5	1	1.46				SF_C1046	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-t-Boc-L-alanine methyl ester]	2.82	0.78	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[N-t-Boc-L-alanine methyl ester]	2.76	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-t-Boc-L-alanine methyl ester

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
203.24	5	1	1.46				SF_C1595	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-t-Boc-L-alanine methyl ester]	2.55	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-t-Boc-L-serine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
204.20	5	2	-0.99				SF_C1048	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-t-Boc-L-serine]	2.49	0.30	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

NADH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
665.44	20	8	-1.47				SF_C1692	None		Not checked

SMILES: NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[NADH]	0.45	6.0	25.0	HPLC-method	Manabu Seno 1990
[b-Cyclodextrin](1).[NADH]	0.65	6.0	25.0	HPLC-method	Manabu Seno 1990
[g-Cyclodextrin](1).[NADH]	0.37	6.0	25.0	HPLC-method	Manabu Seno 1990

NADP

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
767.40	20	8	-0.74				SF_C1693	None		Not checked

SMILES: O.[Na+].NC(=O)c1ccc[n+](c1)C2O[C@H](CO[P]([O-])(=O)O[P]([O-])(=O)OC[C@H]3O[C@H]([C@@H]([C@@H]3O)[P](O)(O)=O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[NADP]	0.64	6.0	25.0	HPLC-method	Manabu Seno 1990
[b-Cyclodextrin](1).[NADP]	0.85	6.0	25.0	HPLC-method	Manabu Seno 1990
[g-Cyclodextrin](1).[NADP]	0.49	6.0	25.0	HPLC-method	Manabu Seno 1990

NC0-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0087	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC0-b-CD](1).[cholic acid]	4.83	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[chenodeoxycholic acid]	4.72	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[deoxycholic acid]	4.15	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[hyodeoxycholic acid]	4.91	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[lithocholic acid]	6.04	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[ursodeoxycholic acid]	5.78	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[1-adamantanol]	5.62	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[2-adamantanol]	5.76	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[1-adamantane carboxylic acid]	5.77	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[1-adamantane amine]	4.81	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[R-borneol]	5.32	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[S-borneol]	5.20	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[nerol]	3.75	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[geraniol]	3.74	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-b-CD](1).[cyclohexanol]	3.63	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

NC0-g-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0088	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC0-g-CD](1).[cholic acid]	4.61	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[chenodeoxycholic acid]	5.18	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[deoxycholic acid]	5.34	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[hyodeoxycholic acid]	5.49	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[lithocholic acid]	6.57	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[ursodeoxycholic acid]	5.18	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[1-adamantanol]	3.18	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[2-adamantanol]	3.20	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[1-adamantane carboxylic acid]	2.90	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[R-borneol]	3.86	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[S-borneol]	3.81	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[nerol]	3.34	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[geraniol]	3.04	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

NC4-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0089	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC4-b-CD](1).[cholic acid]	4.58	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[chenodeoxycholic acid]	4.63	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[deoxycholic acid]	4.75	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[hyodeoxycholic acid]	6.18	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[lithocholic acid]	5.95	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[ursodeoxycholic acid]	6.20	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[1-adamantanol]	4.20	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[2-adamantanol]	4.36	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[1-adamantane carboxylic acid]	4.59	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[1-adamantane amine]	3.30	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[R-borneol]	4.04	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[S-borneol]	3.81	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[nerol]	3.11	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[geraniol]	2.85	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[cyclohexanol]	2.62	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

NO3-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C475	None

SMILES: [O-][N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[NO3-]	-0.59		7.0	50.0	NMR spectroscopy	Jose J. C. Teixeira-Dias 2004

NP10

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1470	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[NP10 ]	2.46		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000
[b-Cyclodextrin](1).[NP10 ]	4.74		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000