OpenMolDB

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt0947	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Anthracene]	3.36			25.0		Kenneth A. Connors 1995

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt0948	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt0949	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt0950	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt1849	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Anthracene]	3.18			25.0		Kenneth A. Connors 1995

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt1850	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.23	0	0	3.99				nt1851	None		Not checked

SMILES: c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Anthranilic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.14	3	2	1.55				nt0951	None		Not checked

SMILES: Nc1ccccc1C(O)=O

Supramolecules

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

Artemisinin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
282.33	5	0	2.39				SF_C1775	None		Not checked

SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Artemisinin ]	2.68		7.4	28.0	HPLC-method	Christy M. Wyandt 2003

Artether

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1777	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Artether ]	2.51		7.4	28.0	HPLC-method	Christy M. Wyandt 2003

Aspartame

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
294.30	7	3	0.78				nt0955	None		Not checked

SMILES: COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Aspartame]	2.11			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Aspartame]	2.18	0.51	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Aspartame

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
294.30	7	3	0.78				SF_C1761	None		Not checked

SMILES: COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Aspartame]	1.62	-0.15	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Aspartame]	1.92	0.72	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Aspartame]	1.87	0.66	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Aspirin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.16	4	1	1.31				nt0046	None		Not checked

SMILES: CC(=O)Oc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Aspirin]	1.89			25.0		Kenneth A. Connors 1995

Aspirin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.16	4	1	1.31				nt0956	None		Not checked

SMILES: CC(=O)Oc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Aspirin]	3.23			25.0		Kenneth A. Connors 1995

Auramine O

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.83	3	1	0.34				SF_C800	None		Not checked

SMILES: [H+].[Cl-].CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Auramine O]	2.91	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[6,6'-o-phenylenediseleno-bridged bis(b-cyclodextrin)](1).[Auramine O]	4.14	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[6,6'-[2,2'-diselenobis(benzoyloxyl)]-bridged bis(b-cyclodextrin)](1).[Auramine O]	3.52	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001