OpenMolDB

styrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
104.15	0	0	2.33				SF_C602	None		Not checked

SMILES: C=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-(Prop-2-one-1-yl)-a-cyclodextrin](1).[styrene]	3.48		7.0	25.0	NMR spectroscopy	Mikael Bols 2004

styrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
104.15	0	0	2.33				VR_C27	None		Not checked

SMILES: C=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

suberic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
174.19	4	2	1.50				SF_C157	None		Not checked

SMILES: OC(=O)CCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[suberic acid]	3.52	3.00	9.0	80.0	electrospray ionization mass spectrometry	Valérie Gabelica 2003

succinic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.09	4	2	-0.06				SF_C438	None		Not checked

SMILES: OC(=O)CCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[succinic acid]	1.81	0.04	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[a-Cyclodextrin](1).[succinic acid]	2.24	1.21			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[b-Cyclodextrin](1).[succinic acid]	1.33	1.21	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[succinic acid]	1.29	0.65			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[g-Cyclodextrin](1).[succinic acid]	0.82	0.51	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[succinic acid]	0.41	-0.22			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[succinic acid]	0.63	0.11	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[succinic acid]	1.65	0.88	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[succinic acid]	2.43	1.40	7.0	22.0	NMR titration	Daniel W. Armstrong 2006

succinic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.09	4	2	-0.06				JN_304	None		Not checked

SMILES: OC(=O)CCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

sulfaproxyline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.39	6	2	4.23				SF_C740	None		Not checked

SMILES: CC(C)Oc1ccc(cc1)C(=O)N[S](=O)(=O)c2ccc(N)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sulfaproxyline]	2.97	2.08	7.0	25.0	UV-vis spectroscopy	Barbara Szafran 1999

sulfobutylether-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0023	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[sulfobutylether-b-cyclodextrin](1).[danazol]	2.48			22.0	phase solubility	Moji Christianah Adeyeye 2001
[sulfobutylether-b-cyclodextrin](1).[danazol]	2.20			37.0	phase solubility	Moji Christianah Adeyeye 2001
[sulfobutylether-b-cyclodextrin](1).[Ebselen]	3.43		7.0	25.0	phase solubility	Kaneto Uekama 2002
[sulfobutylether-b-cyclodextrin](1).[Ebselen]	3.56		7.0	25.0	1H-NMR	Kaneto Uekama 2002
[sulfobutylether-b-cyclodextrin](1).[fentanyl]	2.86		8.0		phase solubility	J. Plaizier-Vercammen 2003
[sulfobutylether-b-cyclodextrin](1).[Ziprasidone mesylate]	2.98		3.8		CD, NMR, phase solubility	Yesook Kim 1998
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.15		5.0	70.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.31		5.0	60.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.46		5.0	50.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.48		5.0	37.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	3.99		7.4	70.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.16		7.4	60.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.49		7.4	50.0	HPLC-method	Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine]	4.81		7.4	37.0	HPLC-method	Pekka Jarho 1997
[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
[sulfobutylether-b-cyclodextrin](1).[chlorambucil]	3.15	1.70	7.35	40.0	HPLC-method	Thorsteinn Loftsson 1998
[sulfobutylether-b-cyclodextrin](1).[indomethacin]	2.41	1.30	9.8	40.0	HPLC-method	Thorsteinn Loftsson 1998
[sulfobutylether-b-cyclodextrin](1).[diazepam]	1.85	1.78	2.0	30.5	HPLC-method	Thorsteinn Loftsson 1998
[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
[sulfobutylether-b-cyclodextrin](1).[R-Apomorphine]	0.21		3.0	25.0	Capillary electrophoresis	Ann Van Schepdael 2004
[sulfobutylether-b-cyclodextrin](2).[R-Apomorphine]	0.19		3.0	25.0	Capillary electrophoresis	Ann Van Schepdael 2004
[sulfobutylether-b-cyclodextrin](1).[S-Apomorphine]	0.57		3.0	25.0	Capillary electrophoresis	Ann Van Schepdael 2004
[sulfobutylether-b-cyclodextrin](2).[S-Apomorphine]	0.60		3.0	25.0	Capillary electrophoresis	Ann Van Schepdael 2004
[sulfobutylether-b-cyclodextrin](1).[2,6-diisopropyl phenol]	3.57		7.0	30.0	HPLC-method	M.K. Manoj Babu 2004
[sulfobutylether-b-cyclodextrin](1).[2,6-diisopropyl phenol]	3.57		7.0	37.0	HPLC-method	M.K. Manoj Babu 2004
[sulfobutylether-b-cyclodextrin](1).[cyclosporin A]	1.34		7.0	25.0	HPLC method	Laura Matilainen 2006
[sulfobutylether-b-cyclodextrin](1).[valdecoxib]	3.15		6.8	25.0	UV-vis spectroscopy	Tayade Pralhad 2005
[sulfobutylether-b-cyclodextrin](1).[butyl-methoxydibenzoylmethane]	3.34		7.0	25.0	HPLC-method	Santo Scalia 2004
[sulfobutylether-b-cyclodextrin](2).[butyl-methoxydibenzoylmethane]	1.08		7.0	25.0	HPLC-method	Santo Scalia 2004
[sulfobutylether-b-cyclodextrin](1).[O6-benzylguanine]	2.75		7.0	25.0	HPLC-method	Valentino J. Stella 1995
[sulfobutylether-b-cyclodextrin](1).[O6-benzylguanine]	2.53		7.0	50.0	HPLC-method	Valentino J. Stella 1995
[sulfobutylether-b-cyclodextrin](1).[O6-benzylguanine]	2.49		2.2	50.0	HPLC-method	Valentino J. Stella 1995
[sulfobutylether-b-cyclodextrin](1).[O6-benzylguanine]	2.43		4.8	50.0	HPLC-method	Valentino J. Stella 1995
[sulfobutylether-b-cyclodextrin](1).[ozonide antimalarial]	6.36	5.30	7.4	25.0	Isothermal Titration Calorimetry	Susan A. Charman 2006
[sulfobutylether-b-cyclodextrin](1).[ozonide antimalarial]	6.20	5.30	7.4	37.0	Isothermal Titration Calorimetry	Susan A. Charman 2006
[sulfobutylether-b-cyclodextrin](1).[vinpocetine]	2.53		7.0	21.0	UV-vis spectroscopy	Francisco Veiga 2003
[sulfobutylether-b-cyclodextrin](1).[vinpocetine]	2.53	0.90	7.0	22.0	UV-vis spectroscopy	Francisco J.B. Veiga 2003
[sulfobutylether-b-cyclodextrin](1).[4[4-(methylsulfonyl) phenyl]-3-phenyl-2 (5H)-furazone]	2.12		7.2	25.0	UV-vis spectroscopy	Tayade Pralhad 2004
[sulfobutylether-b-cyclodextrin](1).[3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazole dihydrochloride 3.5 hydrate]	4.74	2.40	4.0	37.0	Circular dichroism	K. Uekama 2001
[sulfobutylether-b-cyclodextrin](1).[3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazole dihydrochloride 3.5 hydrate]	3.71	2.48	6.0	37.0	Circular dichroism	K. Uekama 2001
[sulfobutylether-b-cyclodextrin](1).[3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazole dihydrochloride 3.5 hydrate]	3.48	2.63	7.4	37.0	Circular dichroism	K. Uekama 2001
[sulfobutylether-b-cyclodextrin](1).[amlodipine enantiomer(2)]	2.78	1.85	3.95	17.0	HPLC	Anthony F. Fell 1998
[sulfobutylether-b-cyclodextrin](1).[meso-tetrakis(4-N-ethylpyridiumyl) porphyrin]	5.30		7.61	20.0	UV-vis and fluorescence spectroscopy	Shuang Shaomin 2005
[sulfobutylether-b-cyclodextrin](1).[meso-tetrakis(4-N-methylpyridiumyl) porphyrin]	4.58		7.61	20.0	UV-vis and fluorescence spectroscopy	Shuang Shaomin 2005
[sulfobutylether-b-cyclodextrin](1).[prednisolone]	3.43	1.79	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[sulfobutylether-b-cyclodextrin](1).[prednisolone]	3.26			25.0	UV-vis spectroscopy	Kim L.Larsen 2005
[sulfobutylether-b-cyclodextrin](1).[6a-methyl prednisolone]	2.85	1.28	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[sulfobutylether-b-cyclodextrin](1).[6a-methyl prednisolone]	2.86			25.0		Kim L.Larsen 2005
[sulfobutylether-b-cyclodextrin](1).[6a-methyl prednisolone]	2.86			25.0	UV-vis spectroscopy	Kim L.Larsen 2005

sulfobutylether-g-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0267	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[sulfobutylether-g-cyclodextrin](1).[prednisolone]	3.50	1.93	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[sulfobutylether-g-cyclodextrin](1).[6a-methyl prednisolone]	3.10	1.59	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[sulfobutylether-g-cyclodextrin](1).[6a-methyl prednisolone]	3.12			25.0		Kim L.Larsen 2005

sym-4,4'-dibrome biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1353	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-dibrome biphenyl]	3.64	3.16	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-dibrome biphenyl]	3.73	3.19	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

sym-4,4'-dichlor biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1352	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-dichlor biphenyl]	3.01	2.60	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-dichlor biphenyl]	3.21	2.74	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

sym-4,4'-diciano biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1354	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-diciano biphenyl]	2.48	1.23	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-diciano biphenyl]	1.77	1.11	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

sym-4,4'-dihydroxy biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1349	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-dihydroxy biphenyl]	1.61	0.70	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-dihydroxy biphenyl]	2.54	1.68	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

sym-4,4'-dimethyl biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1350	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-dimethyl biphenyl]	3.00	2.24	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-dimethyl biphenyl]	2.09	1.26	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

sym-4,4'-dinitro biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1355	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[sym-4,4'-dinitro biphenyl]	2.93	2.01	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[sym-4,4'-dinitro biphenyl]	2.17	1.23	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

t-BuOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C1270	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[t-BuOH]	0.62	-0.46	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993