OpenMolDB

Butyric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.11	2	1	0.87				nt0139	None		Not checked

SMILES: CCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Butyric acid]	2.13			25.0		Kenneth A. Connors 1995

Butyric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.11	2	1	0.87				nt1054	None		Not checked

SMILES: CCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Butyric acid]	1.51			25.0		Kenneth A. Connors 1995

Butyric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
87.10	1	0	-0.46				nt0140	None		Not checked

SMILES: CCCC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Butyric acid anion]	1.19			25.0		Kenneth A. Connors 1995

BzSe-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0160	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BzSe-b-CD](1).[acridine red]	3.91		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

C10 acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.26	2	1	3.21				NT_b0105	None		Not checked

SMILES: CCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C10 acid]	2.20	0.20	8.2	30.0	capillar zone electrophoresis	P. Gareil 1995

C11 acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
186.29	2	1	3.60				NT_b0104	None		Not checked

SMILES: CCCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C11 acid]	2.60	0.10	8.2	30.0	capillar zone electrophoresis	P. Gareil 1995

C12 acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.32	2	1	3.99				NT_b0103	None		Not checked

SMILES: CCCCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C12 acid]	3.13	0.05	8.2	30.0	capillar zone electrophoresis	P. Gareil 1995

C12NBr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C673	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C12NBr]	-1.54		7.0	25.0	titration microcalorimetry	De-Zhi Sun 2004

C13 acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
214.34	2	1	4.38				NT_b0102	None		Not checked

SMILES: O=C(O)CCCCCCCCCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C13 acid]	3.58	0.05	8.2	30.0	capillar zone electrophoresis	P. Gareil 1995

C14 acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.37	2	1	4.77				NT_b0101	None		Not checked

SMILES: O=C(O)CCCCCCCCCCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C14 acid]	3.77	0.05	8.2	30.0	capillar zone electrophoresis	P. Gareil 1995

C14NBr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C674	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[C14NBr]	-0.85		7.0	25.0	titration microcalorimetry	De-Zhi Sun 2004

C1C10V2+

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_378	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C1C10V2+]	3.89	25.0	circular dichroism	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[C1C10V2+]	4.29	25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[C1C10V2+]	4.52	25.0	fluorescence spectroscopy	Joon Woo Park 2003

C1C12V2+

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_379	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C1C12V2+]	4.08			25.0	circular dichroism	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[C1C12V2+]	4.72			25.0	fluorescence spectroscopy	Joon Woo Park 2003

C1C7V2+

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_375	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[C1C7V2+]	2.64	25.0	circular dichroism	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[C1C7V2+]	3.08	25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[C1C7V2+]	3.23	25.0	fluorescence spectroscopy	Joon Woo Park 2003

C2V2+C11V2+C2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_a0020	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[C2V2+C11V2+C2]	2.36		7.0	25.0	Potenciometric method	Angel E. 1997