OpenMolDB

tamoxifen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
371.51	2	0	6.00				SF_C946	None		Not checked

SMILES: CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tamoxifen]	4.18		7.4	37.0	High-performance affinity chromatography	David S. Hage 2004

tartaric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.09	6	4	-2.12				VR_C126	None		Not checked

SMILES: OC(C(O)C(O)=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tartaric acid]	0.61			28.0	HPLC	E. Fenyvesi 1999
[b-Cyclodextrin](1).[tartaric acid]	0.89	0.36			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993

tartaric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.09	6	4	-2.12				JN_306	None		Not checked

SMILES: OC(C(O)C(O)=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[tartaric acid]	0.18	-0.52			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[g-Cyclodextrin](1).[tartaric acid]	0.28				freezing point depression method, osmotic measurements	Masahiko Suzuki 1993

tatradecanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C453	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[tatradecanol]	2.63	1.85	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[tatradecanol]	2.30	1.40	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[tatradecanol]	1.93	1.16	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[tatradecanol]	2.02	0.84	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[tatradecanol]	1.16	0.52	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[tatradecanol]	1.55	0.40	7.0	22.0	NMR titration	Daniel W. Armstrong 2006

taurocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				SF_C497	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[taurocholate]	3.78		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

taurocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				SF_C509	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Bridged bis(b-CD)](1).[taurocholate]	3.36	1.11	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004

taurocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				SF_C848	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[taurocholate]	3.36	1.11	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[b-Cyclodextrin](1).[taurocholate]	2.49		7.4	37.0	HPLC-method	J. Howard Rytting 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[taurocholate]	3.36	1.91	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono(6-carboxymethylamino-6-deoxy)-b-CD](1).[taurocholate]	3.12	1.71	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-(R(-))-1-hydroxymethylpropylamino)-6-deoxy]-b-CD](1).[taurocholate]	3.45	1.86	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003

taurocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				SF_C879	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[G2-b-CD](1).[taurocholate]	2.80		7.4	37.0	HPLC-method	J. Howard Rytting 2002

taurocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				SF_C977	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(9-anthrylformamido)ethyleneamino-6-deoxy]-b-cyclodextrin](1).[taurocholate]	3.42	2.49	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[taurocholate]	3.57	2.64	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)triethylenetriamino-6-deoxy]-b-cyclodextrin](1).[taurocholate]	3.26	2.07	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004

terbutaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.28	4	4	1.91				NT_c0231	None		Not checked

SMILES: CC(C)(C)NCC(O)c1cc(O)cc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[terbutaline]	3.17				UV	Apryll M. Stalcup 1998
[Sulfated-b-Cyclodextrin](1).[terbutaline]	3.24	1.70	3.0	20.0	capillary electrophoresis	Apryll M. Stalcup 1998

terbutaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.28	4	4	1.91				SF_C777	None		Not checked

SMILES: CC(C)(C)NCC(O)c1cc(O)cc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[heptakis(2,3-dimethyl-6-sulfate)-beta-CD](1).[terbutaline]	1.81		4.0	20.0	Capillary electrophoresis	Jong Seong Kang 2004

terephthalic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.13	4	2	1.08				SF_C1257	None		Not checked

SMILES: OC(=O)c1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[terephthalic acid]	3.13	1.23	1.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1984
[a-Cyclodextrin](2).[terephthalic acid]	1.38	-0.22	1.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1984

tert-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C430	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tert-Butanol]	1.68			25.0		Toshio Shinbo 2004

tert-butyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C1298	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-a-D-glucosyl-b-CD](1).[tert-butyl alcohol]	1.83		7.0	22.0	Fluorescence spectroscopy	Daniel G. Nocera 1993

tert-butyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				JN_227	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[tert-butyl alcohol]	1.68			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[tert-butyl alcohol]	1.40	0.14	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996