OpenMolDB

tert-butyl alcohol on polymer chain

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_188	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[tert-butyl alcohol on polymer chain]	0.78				NMR spectroscopy	Akira Harada 1997

tert-butyl group on polymer chain

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_186	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tert-butyl group on polymer chain]	2.53				NMR spectroscopy	Akira Harada 1997
[g-Cyclodextrin](1).[tert-butyl group on polymer chain]	1.76				NMR spectroscopy	Akira Harada 1997

testosterone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
288.42	2	1	3.88				SF_C1680	None		Not checked

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[testosterone]	3.70		7.0	30.0	UV-vis spectroscopy	Ashim K. Mitra 1990
[b-Cyclodextrin](2).[testosterone]	3.44		7.0	30.0	UV-vis spectroscopy	Ashim K. Mitra 1990

tetradecapeptidyl-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0104	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[tetradecapeptidyl-b-CD](2).[adamantanecarboxylic acid]	3.58	2.00	7.4	25.0	Isothermal titration calorymetry	Antonio Vargas-Berenguel 2003

tetradecyltrimethylammonium bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
336.39	0	0	2.40				SF_C1641	None		Not checked

SMILES: [Br-].CCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	-2.64		7.0	25.0	Calorimetry	De-Zhi Sun 2005
[a-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.63	3.16		25.0	Potentiometric titration	Toshihiro Tominaga 1994
[a-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.79				isothermal titration calorimetry	E. Wyn-Jones 1995
[a-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	6.81	5.51	7.0	25.0	Calorimetry	De-Zhi Sun 2005
[a-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	3.50	2.96		25.0	Potentiometric titration	Toshihiro Tominaga 1994
[a-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	3.85				isothermal titration calorimetry	E. Wyn-Jones 1995

tetradecyltrimethylammonium bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
336.39	0	0	2.40				VR_C80	None		Not checked

SMILES: [Br-].CCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.71	3.16	25.0	Potentiometric titration	Toshihiro Tominaga 1994
[b-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.60			isothermal titration calorimetry	E. Wyn-Jones 1995
[b-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.60			potentiometry	E. Wyn-Jones 1995
[b-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	4.64				E. Wyn-Jones 1995
[g-Cyclodextrin](1).[tetradecyltrimethylammonium bromide]	2.75	1.63	25.0	Potentiometric titration	Toshihiro Tominaga 1994
[g-Cyclodextrin](0.5).[tetradecyltrimethylammonium bromide]	3.75	2.99	25.0	Potentiometric titration	Toshihiro Tominaga 1994

tetradecyltrimethylammonium bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
336.39	0	0	2.40				JN_176	None		Not checked

SMILES: [Br-].CCCCCCCCCCCCCC[N+](C)(C)C

Supramolecules

Name	log K	Method	Ref
[b-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	3.49	isothermal titration calorimetry	E. Wyn-Jones 1995
[b-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	1.75	potentiometry	E. Wyn-Jones 1995
[b-Cyclodextrin](2).[tetradecyltrimethylammonium bromide]	2.07		E. Wyn-Jones 1995

tetraethylenepentaamino bridged bis(BCD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0288	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[tetraethylenepentaamino bridged bis(BCD)](1).[brilliant green]	3.66	25.0	UV-vis spectroscopy	Yu Liu 2001
[tetraethylenepentaamino bridged bis(BCD)](1).[methyl orange]	3.81	25.0	circular dichroism spectroscopy	Yu Liu 2001
[tetraethylenepentaamino bridged bis(BCD)](1).[ammonium 8-anilino-1-naphthalenesulphonic acid]	2.85	25.0	fluorescence spectroscopy	Yu Liu 2001
[tetraethylenepentaamino bridged bis(BCD)](1).[sodium 6-(p-toluidino)-2-naphthalenesulphonic acid]	4.03	25.0	fluorescence spectroscopy	Yu Liu 2001

tetrakis(4-sulfonato)-tetraphenylporphyrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C761	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[Calix[4]arene-based β-cyclodextrin dimer](1).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.77	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Calix[4]arene-based β-cyclodextrin tetramer](1).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	6.82	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Calix[4]arene-based β-cyclodextrin tetramer](0.5).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.91	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Heptakis(2-O-methyl)-β-cyclodextrin](1).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.94	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Heptakis(2-O-methyl)-β-cyclodextrin](2).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.04	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001

tetrakis(4-sulfonatopheny1)porphine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
930.96	10	2	6.81				SF_C1366	None		Not checked

SMILES: O=S(C1=CC=C(C2=C3C=CC(C(C4=CC=C(S(=O)([O-])=O)C=C4)=C5C=CC(N5)=C(C6=CC=C(S(=O)([O-])=O)C=C6)C(C=C7)=NC7=C(C8=CC=C(S(=O)([O-])=O)C=C8)C9=CC=C2N9)=N3)C=C1)([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[tetrakis(4-sulfonatopheny1)porphine]	2.64		7.0	25.0	UV-vis spectroscopy	Robert G. Bryant 1995

tetrakis(sulfonatophenyl)porphyrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
930.96	10	1	7.35				SF_C151	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccccc1n2c3cc4ccc(cc5[nH]c(cc5)cc6ccc(n6)c(c7ccccc7[S]([O-])(=O)=O)c2c(c8ccccc8[S]([O-])(=O)=O)c3c9ccccc9[S]([O-])(=O)=O)n4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetrakis(sulfonatophenyl)porphyrin]	1.45	0.14	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[g-Cyclodextrin](1).[tetrakis(sulfonatophenyl)porphyrin]	0.87	0.02	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[tetrakis(sulfonatophenyl)porphyrin]	3.27	0.03	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[tetrakis(sulfonatophenyl)porphyrin]	2.23	0.14	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006

tetrasulfonated 1,2-bis(diphenylphosphino)ethane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C710	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetrasulfonated 1,2-bis(diphenylphosphino)ethane]	3.18	2.18	7.0	25.0	NMR spectroscopy	Sebastien Tilloy 2006
[b-Cyclodextrin](1).[tetrasulfonated 1,2-bis(diphenylphosphino)ethane]	2.91	1.90	7.0	25.0	UV-vis spectroscopy	Sebastien Tilloy 2006

tetrasulfonated 1,3-bis(diphenylphosphino)propane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C711	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetrasulfonated 1,3-bis(diphenylphosphino)propane]	3.28	2.28	7.0	25.0	NMR spectroscopy	Sebastien Tilloy 2006
[b-Cyclodextrin](1).[tetrasulfonated 1,3-bis(diphenylphosphino)propane]	2.97	1.95	7.0	25.0	UV-vis spectroscopy	Sebastien Tilloy 2006

tetrasulfonated 1,4-bis(diphenylphosphino)butane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C712	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetrasulfonated 1,4-bis(diphenylphosphino)butane]	3.20	2.20	7.0	25.0	NMR spectroscopy	Sebastien Tilloy 2006
[b-Cyclodextrin](1).[tetrasulfonated 1,4-bis(diphenylphosphino)butane]	2.93	1.93	7.0	25.0	UV-vis spectroscopy	Sebastien Tilloy 2006

tetrathiafulvalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
204.36	4	0	4.02				SF_C51	None		Not checked

SMILES: S1C=CSC1=C2SC=CS2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tetrathiafulvalene]	4.04	3.30	6.4	20.0	Fluorescence spectroscopy	Philippe Hapiot 2006