OpenMolDB

naphthalene derivatives containing adamantanamine binding moiety

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.17	0	0	2.84				SF_C202	None		Not checked

SMILES: C12=CC=CC=C1C=CC=C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naphthalene derivatives containing adamantanamine binding moiety

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.17	0	0	2.84				SF_C203	None		Not checked

SMILES: C12=CC=CC=C1C=CC=C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1504	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naproxen]	3.32		7.0	25.0	UV-vis spectroscopy	Paola Mura 2001
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naproxen]	3.24		7.0	37.0	UV-vis spectroscopy	Paola Mura 2001
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naproxen]	3.23		7.0	45.0	UV-vis spectroscopy	Paola Mura 2001

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1637	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naproxen]	3.23		5.0	25.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[naproxen]	3.14		5.0	37.0	UV-vis spectroscopy	P. Mura 2005
[b-Cyclodextrin](1).[naproxen]	2.62		9.0	25.0	NMR spectroscopy	A. Ganza-Gonzalez 1994
[b-Cyclodextrin](1).[naproxen]	1.59		7.4	37.0	UV-vis spectroscopy	Francesco Castelli 1992
[b-Cyclodextrin](1).[naproxen]	2.99	1.52	7.0	25.0	UV-vis spectroscopy	Margarita Valero 2003
[b-Cyclodextrin](1).[naproxen]	2.80	1.70	10.5	25.0	Gradient flow injection spectrophotometric technique	Michael A. Koupparis 1995
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naproxen]	3.84		5.0	25.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naproxen]	3.77		5.0	37.0	UV-vis spectroscopy	P. Mura 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naproxen]	3.71		5.0	45.0	UV-vis spectroscopy	P. Mura 2005
[sulfobutylether-b-cyclodextrin](1).[naproxen]	3.72		5.0	25.0	UV-vis spectroscopy	P. Mura 2005
[sulfobutylether-b-cyclodextrin](1).[naproxen]	3.58		5.0	37.0	UV-vis spectroscopy	P. Mura 2005
[sulfobutylether-b-cyclodextrin](1).[naproxen]	3.49		5.0	45.0	UV-vis spectroscopy	P. Mura 2005

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1673	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1706	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1835	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C851	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naproxen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C901	None		Not checked

SMILES: COc1ccc2cc(ccc2c1)C(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naringenin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.25	5	3	2.51				SF_C1221	None		Not checked

SMILES: Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naringenin]	2.85		7.0	15.0	UV-vis spectroscopy	Maria Luisa Calabrò 2004
[b-Cyclodextrin](1).[naringenin]	2.55		7.0	25.0	UV-vis spectroscopy	Maria Luisa Calabrò 2004
[b-Cyclodextrin](1).[naringenin]	2.26		7.0	35.0	UV-vis spectroscopy	Maria Luisa Calabrò 2004
[b-Cyclodextrin](1).[naringenin]	1.98		7.0	45.0	UV-vis spectroscopy	Maria Luisa Calabrò 2004
[b-Cyclodextrin](1).[naringenin]	2.58		4.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004
[b-Cyclodextrin](1).[naringenin]	1.28		8.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004

naringenin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.25	5	3	2.51				SF_C955	None		Not checked

SMILES: Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naringenin]	2.92		4.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naringenin]	1.65		8.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naringenin]	3.00		4.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naringenin]	2.55		8.0	25.0	UV-vis spectroscopy	M. L. Calabro 2004

naringenin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.25	5	3	2.51				SF_C956	None		Not checked

SMILES: Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

naringin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
580.53	14	8	-1.17				SF_C1665	None		Not checked

SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naringin]	3.01	2.18		20.0	UV-vis spectroscopy	Soundar Divakar 1993

natamycin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
665.73	14	7	0.82				SF_C830	None		Not checked

SMILES: C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[natamycin]	3.00		7.0	25.0	UV-vis spectroscopy	Joseph E. Marcy 2003

neo-PenOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1271	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[neo-PenOH]	1.41	0.52	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993