OpenMolDB

neopentyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				JN_228	None		Not checked

SMILES: CC(C)(C)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[neopentyl alcohol]	2.76			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[neopentyl alcohol]	2.54	1.34	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

nerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				NT_a0037	None		Not checked

SMILES: CC(C)=CCC\C(C)=C/CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nerol]	2.46		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997

nerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				NT_b0160	None		Not checked

SMILES: CC(C)=CCC\C(C)=C/CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[nerol]	2.30		7.2	25.0	spectrofluorometric titration	Yu Liu 1999

nerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				SF_C1147	None		Not checked

SMILES: CC(C)=CCC\C(C)=C/CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[nerol]	2.50		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

nerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				SF_C1323	None		Not checked

SMILES: CC(C)=CCC\C(C)=C/CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[nerol]	2.77		7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](1).[nerol]	2.49		7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](2).[nerol]	2.82		7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979

nerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				SF_C405	None		Not checked

SMILES: CC(C)=CCC\C(C)=C/CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[NC0-b-CD](1).[nerol]	3.75		7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[nerol]	3.11		7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[nerol]	3.34		7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C1198	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[neutral red]	1.88		5.0	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[b-Cyclodextrin](1).[neutral red]	2.74		7.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[b-Cyclodextrin](1).[neutral red]	2.83		10.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[b-Cyclodextrin](1).[neutral red]	2.24		6.6	25.0	UV/VIS spectrometry	Abbas Afkhami 2006
[b-Cyclodextrin](1).[neutral red]	2.68		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[neutral red]	2.61	1.40	9.0	25.0	Fluorescence spectroscopy	M. K. Singh 2004
[b-Cyclodextrin](1).[neutral red]	2.68		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[neutral red]	2.68		7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[neutral red]	2.08		5.0	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[neutral red]	3.00		7.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[neutral red]	3.13		10.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[sulfobutylether-b-cyclodextrin](1).[neutral red]	2.88		5.0	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[sulfobutylether-b-cyclodextrin](1).[neutral red]	3.36		7.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002
[sulfobutylether-b-cyclodextrin](1).[neutral red]	3.41		10.5	20.0	Fluorescence spectroscopy	Shaomin Shuang 2002

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C12	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C1210	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[N,N'-Bis(6'-(2-ethylamino)-6'-deoxycyclomaltoheptaose)benzene-1,3- or 1,4-dicarboxylic acid 4,6-or 2,5-diamide](1).[neutral red]	3.38		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C1623	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[neutral red]	2.62	2.00	9.0	25.0	Fluorescence spectroscopy	M. K. Singh 2004

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C470	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-cystine bridged bis-b-CD](2).[neutral red]	3.67		7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C822	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[organoselenium-bridged bis(b-cyclodextrin)](1).[neutral red]	3.37		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 3](1).[neutral red]	3.48		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 4](1).[neutral red]	3.26		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 5](1).[neutral red]	3.41		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				SF_C938	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[neutral red]	2.68		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[neutral red]	2.94		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[p-phenylenediamino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[neutral red]	2.80		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[4,4'-bianilino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[neutral red]	3.14		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

neutral red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.78	3	2	-0.26				JN_369	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2[nH+]c3cc(C)c(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6,6'-[2,2'-diselenobis(benzoyloxyl)]-bridged bis(b-cyclodextrin)](1).[neutral red]	3.37		7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[6,6'-o-Phenylenediseleno-bridged bis(b-cyclodextrin)](1).[neutral red]	4.24		7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[6,6'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[neutral red]	3.71		7.2	25.0	fluorescence spectroscopy	Yu Liu 2002

nicardipine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
479.52	7	1	4.53				SF_C812	None		Not checked

SMILES: COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN(C)Cc3ccccc3)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[nicardipine]	1.31	-0.28	7.0		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[b-Cyclodextrin](1).[nicardipine]	1.18	-0.85	3.0		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[b-Cyclodextrin](1).[nicardipine]	1.51	-0.04	5.5		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[b-Cyclodextrin](1).[nicardipine]	1.88	0.78	7.4		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nicardipine]	1.19	-0.82	7.0		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nicardipine]	1.15	-0.31	3.0		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nicardipine]	1.47	0.06	5.5		UV-vis spectroscopy	Francisco J. B. Veiga 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nicardipine]	1.84	0.64	7.4		UV-vis spectroscopy	Francisco J. B. Veiga 2002