OpenMolDB

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C1208	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[acridine red]	3.42	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[acridine red]	3.49	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[b-Cyclodextrin](1).[acridine red]	3.32	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[acridine red]	3.14	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[b-Cyclodextrin](1).[acridine red]	0.50	7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[b-Cyclodextrin](1).[acridine red]	0.49	7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[b-Cyclodextrin](1).[acridine red]	0.47	7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[b-Cyclodextrin](1).[acridine red]	3.42	7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[N,N'-Bis(6'-(2-ethylamino)-6'-deoxycyclomaltoheptaose)benzene-1,3- or 1,4-dicarboxylic acid 4,6-or 2,5-diamide](1).[acridine red]	3.76	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C1816	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[acridine red]	4.47	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[acridine red]	4.49	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(2-aminoethyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	3.43	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(2-aminoethyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	3.50	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[acridine red]	3.62	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[acridine red]	3.69	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	4.16	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[acridine red]	4.22	7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C469	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-cystine bridged bis-b-CD](2).[acridine red]	3.51		7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C501	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[N-(benzoaza-15-crown-5)acylaminomethylene tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[acridine red]	3.27	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[acridine red]	3.51	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N-(benzoaza-15-crown-5)acylaminomethylene tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[acridine red]	3.20	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[acridine red]	3.44	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2004

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C766	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Bis(b-cyclodextrin)-Copper(II) Complex](1).[acridine red]	4.78		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2001

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C821	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[organoselenium-bridged bis(b-cyclodextrin)](1).[acridine red]	3.52	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 3](1).[acridine red]	3.39	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 4](1).[acridine red]	3.64	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 5](1).[acridine red]	4.39	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C853	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[acridine red]	1.70	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[g-Cyclodextrin](1).[acridine red]	2.07	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[PHP-b-CD](1).[acridine red]	3.40	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[EtP-b-CD](1).[acridine red]	3.08	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[PhSe-b-CD](1).[acridine red]	3.56	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[BzSe-b-CD](1).[acridine red]	3.91	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[G-b-CD](1).[acridine red]	3.16	6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58	7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57	7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57	7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56	7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57	7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56	7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.55	7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.54	7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.61	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59	7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58	7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57	7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56	7.2	50.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.62	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.61	7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.60	7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59	7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58	7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				SF_C939	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[acridine red]	3.42	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[acridine red]	3.97	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[p-phenylenediamino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[acridine red]	4.65	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[4,4'-bianilino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[acridine red]	3.91	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

acridine red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
274.75	2	2	1.10				JN_368	None		Not checked

SMILES: [Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[6,6'-[2,2'-diselenobis(benzoyloxyl)]-bridged bis(b-cyclodextrin)](1).[acridine red]	3.52	7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[6,6'-o-Phenylenediseleno-bridged bis(b-cyclodextrin)](1).[acridine red]	4.56	7.2	25.0	fluorescence spectroscopy	Yu Liu 2002
[6,6'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[acridine red]	4.25	7.2	25.0	fluorescence spectroscopy	Yu Liu 2002

acyclovir

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.20	6	3	-0.75				NT_a0066	None		Not checked

SMILES: NC1=NC(=O)c2ncn(COCCO)c2N1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[acyclovir]	2.88	2.20		25.0	fluorescence spectroscopy	Aicart, Emilio 2003

acyclovir

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.20	6	3	-0.75				SF_C831	None		Not checked

SMILES: NC1=NC(=O)c2ncn(COCCO)c2N1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[acyclovir]	1.34	7.0	25.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003
[Hexakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltohexaose](1).[acyclovir]	2.95	7.0	25.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003
[Heptakis(2,3-di-O-hexanoyl)-tetrakis(6-O-sulfo)cyclomaltoheptaose](1).[acyclovir]	3.22	7.0	25.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003
[Heptakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltoheptaose](1).[acyclovir]	3.02	7.0	22.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003

adamantan-1-yl-ammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.26	0	1	1.20				nt0021	None		Not checked

SMILES: [NH3+]C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[adamantan-1-yl-ammonium]	1.70			25.0		Kenneth A. Connors 1995

adamantan-1-yl-ammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.26	0	1	1.20				nt0905	None		Not checked

SMILES: [NH3+]C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adamantan-1-yl-ammonium]	4.04			25.0		Kenneth A. Connors 1995

adamantan-1-yl-ammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.26	0	1	1.20				nt0906	None		Not checked

SMILES: [NH3+]C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

adamantan-1-yl-ammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.26	0	1	1.20				nt0907	None		Not checked

SMILES: [NH3+]C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref