OpenMolDB

9-methylanthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
192.26	0	0	4.30				SF_C1364	None		Not checked

SMILES: Cc1c2ccccc2cc3ccccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[9-methylanthracene]	2.08	1.30		25.0	Fluorescence spectroscopy	Vincent C. Reinsborough 1995
[b-Cyclodextrin](1).[9-methylanthracene]	2.45	1.60		25.0	Fluorescence spectroscopy	Vincent C. Reinsborough 1995
[g-Cyclodextrin](1).[9-methylanthracene]	3.23	2.48		25.0	Fluorescence spectroscopy	Vincent C. Reinsborough 1995

A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0146	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid]	2.13	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid]	2.28	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.16	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine]	2.11	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine]	2.14	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine]	2.04	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004

A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0147	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid]	2.05	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid]	2.12	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.31	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine]	2.32	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine]	2.20	0.60	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine]	2.09	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004

A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0148	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid]	1.97	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid]	2.03	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.13	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine]	2.23	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine]	2.08	0.48	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine]	2.04	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004

ADR(3)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C42	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ADR(3)]	6.14			20.0	Fluorescence spectroscopy	P. Ramamurthy 2001
[b-Cyclodextrin](1).[ADR(3)]	5.99			25.0	Fluorescence spectroscopy	P. Ramamurthy 2001
[b-Cyclodextrin](1).[ADR(3)]	5.96			30.0	Fluorescence spectroscopy	P. Ramamurthy 2001
[b-Cyclodextrin](1).[ADR(3)]	5.87			35.0	Fluorescence spectroscopy	P. Ramamurthy 2001
[b-Cyclodextrin](1).[ADR(3)]	5.62			40.0	Fluorescence spectroscopy	P. Ramamurthy 2001
[b-Cyclodextrin](1).[ADR(3)]	2.59	1.25			Fluorescence spectroscopy	P. Ramamurthy 2001

ADR(4)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C43	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ADR(4)]	2.90	0.75			Fluorescence spectroscopy	P. Ramamurthy 2001

ADR(5)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C44	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ADR(5)]	2.75	1.41			Fluorescence spectroscopy	P. Ramamurthy 2001

AP-1Ada

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_7	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-1Ada]	4.28			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

AP-Me

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_2	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-Me]	2.06			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

AP-cHex

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_6	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-cHex]	3.79			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

AP-isBut

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_4	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-isBut]	3.15			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

AP-nPr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_3	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-nPr]	2.68			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

AP-tBut

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_V_5	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[AP-tBut]	3.49			23.0	absorption and fluorescence spectroscopy	Véronique Wintgens 2004

Acenaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.19	0	0	3.32				nt0876	None		Not checked

SMILES: c1cc2cccc3C=Cc(c1)c23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acenaphthalene]	2.41			25.0		Kenneth A. Connors 1995

Acenaphthene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.21	0	0	2.94				nt0877	None		Not checked

SMILES: C1Cc2cccc3cccc1c23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acenaphthene]	2.11			25.0		Kenneth A. Connors 1995