OpenMolDB

n-undecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.31	0	0	4.54				VR_C184	None		Not checked

SMILES: CCCCCCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-undecane]	3.30	2.22	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-undecane]	2.42	1.90	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-undecane]	2.12	1.26	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-undecane]	1.80	1.18	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-undecane]	2.54	1.93	25.0	GC (SHSGC)	É. Fenyvesi 2005

nabumetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	2	0	3.37				JN_471	None		Not checked

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

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[g-Cyclodextrin](1).[nabumetone]	3.46	2.60	15.0	fluorescence spectroscopy	Nathir A.F. Al-Rawashdeh 2005
[g-Cyclodextrin](1).[nabumetone]	3.34	2.00	25.0	fluorescence spectroscopy	Nathir A.F. Al-Rawashdeh 2005
[g-Cyclodextrin](1).[nabumetone]	3.23	2.00	35.0	fluorescence spectroscopy	Nathir A.F. Al-Rawashdeh 2005
[g-Cyclodextrin](1).[nabumetone]	3.08	2.00	45.0	fluorescence spectroscopy	Nathir A.F. Al-Rawashdeh 2005

naftifine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
287.40	1	0	4.99				SF_C715	None		Not checked

SMILES: CN(C\C=C\c1ccccc1)Cc2cccc3ccccc23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naftifine]	2.71	1.52	12.0	25.0	UV-vis spectroscopy	Itziar Velaz 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naftifine]	2.92	1.34	12.0	25.0	UV-vis spectroscopy	Itziar Velaz 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[naftifine]	3.05	1.46	12.0	25.0	UV-vis spectroscopy	Itziar Velaz 2006
[g-Cyclodextrin](1).[naftifine]	2.26	1.20	12.0	25.0	UV-vis spectroscopy	Itziar Velaz 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](2).[naftifine]	1.95		12.0	25.0	UV-vis spectroscopy	Itziar Velaz 2006

naphtalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.17	0	0	2.84				SF_C1263	None		Not checked

SMILES: c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naphtalene]	2.93	1.95	7.0	21.0	Fluorescence spectroscopy	J. K. Thomas 1985
[b-Cyclodextrin](1).[naphtalene]	2.84					J. K. Thomas 1985
[b-Cyclodextrin](1).[naphtalene]	2.67		7.0	22.0	UV/VIS spectrometry	Khalil Hanna 2004
[b-Cyclodextrin](2).[naphtalene]	3.60					J. K. Thomas 1985

naphtalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.17	0	0	2.84				SF_C43	None		Not checked

SMILES: c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[naphtalene]	2.79		7.0	22.0	UV/VIS spectrometry	Khalil Hanna 2004

naphtalene derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1391	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naphtalene derivative]	2.51	1.30	8.6	25.0	Calorimetry	Cecil M. Criss 1997

naphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.17	0	0	2.84				NT_c0234	None		Not checked

SMILES: c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[naphthalene]	2.58	1.54		20.0	steady-state fluorescence measurement	Christopher H. Evans 2000

naphthalene derivative 4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_L_1	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 4]	3.78			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002

naphthalene derivative 5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_L_2	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 5]	3.10			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002

naphthalene derivative 6

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_L_3	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 6]	3.48			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002

naphthalene derivative 7

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_L_4	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 7]	3.53			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002

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_C198	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-p-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivatives containing adamantanamine binding moiety]	-0.24		7.0	25.0	Fluorescence spectroscopy	Qing Xiang GUO 2006
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivatives containing adamantanamine binding moiety]	0.36		7.0	25.0	Fluorescence spectroscopy	Qing Xiang GUO 2006

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_C199	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_C200	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_C201	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref