OpenMolDB

2-phenylethylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.18	1	1	1.89				SF_C1533	None		Not checked

SMILES: NCCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-phenylethylamine ]	1.38	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

2-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				SF_C1296	None		Not checked

SMILES: CC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-a-D-glucosyl-b-CD](1).[2-propanol]	1.08		7.0	22.0	Fluorescence spectroscopy	Daniel G. Nocera 1993

2-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				SF_C166	None		Not checked

SMILES: CC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-propanol]	0.94	-0.10	1.0	25.0	UV-vis spectroscopy	L. Garcia-Rio 2005
[b-Cyclodextrin](1).[2-propanol]	0.41	-0.30	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

2-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				VR_C91	None		Not checked

SMILES: CC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-propanol]	0.99	0.49	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

2-t-Butyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0129	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-t-Butyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion]	2.22			25.0		Kenneth A. Connors 1995

2.4-dinitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.11	3	1	2.26				SF_C1358	None		Not checked

SMILES: OC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[monoammonio-per-O-methyl-a-cyclodextrin](1).[2.4-dinitrophenol]	3.50	2.23	7.0	30.0	UV-vis spectroscopy	Jeremy R. Knowles 1979
[triammonio-per-O-methyl-a-cyclodextrin](1).[2.4-dinitrophenol]	3.00	0.53	7.0	30.0	UV-vis spectroscopy	Jeremy R. Knowles 1979

20(S)-Camptothecin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
348.35	5	1	2.08				SF_C1205	None		Not checked

SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[20(S)-Camptothecin]	2.27	1.7	25.0	HPLC-method	Vijay Kumar 2002
[b-Cyclodextrin](1).[20(S)-Camptothecin]	2.42	1.7	25.0	HPLC-method	Vijay Kumar 2002
[g-Cyclodextrin](1).[20(S)-Camptothecin]	1.86	1.7	25.0	HPLC-method	Vijay Kumar 2002
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[20(S)-Camptothecin]	2.20	1.7	25.0	HPLC-method	Vijay Kumar 2002
[Randomly methylated-g-Cyclodextrin (DS ~12)](1).[20(S)-Camptothecin]	1.61	1.7	25.0	HPLC-method	Vijay Kumar 2002

2A-monopyridylmethyl-perPEGylated BCD(py-PPCD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0026	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2A-monopyridylmethyl-perPEGylated BCD(py-PPCD)](1).[iron(III)-meso-tetra(4-sulphonatophenyl)porphyrin]	6.38		6.0		UV-Vis spectroscopy	John T. Groves 2003
[2A-monopyridylmethyl-perPEGylated BCD(py-PPCD)](1).[iron(III)-meso-tetra(4-sulphonatophenyl)porphyrin]	6.38		6.0		NMR spectroscopy	John T. Groves 2004

2NpA/AAm (52)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C190	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2NpA/AAm (52)]	2.36				Fluorescence spectroscopy	Akira Harada 2006

2NpA/AAm (73)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C191	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2NpA/AAm (73)]	2.20				Fluorescence spectroscopy	Akira Harada 2006

2NpMeOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C187	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2NpMeOH]	2.87				Fluorescence spectroscopy	Akira Harada 2006

2’,3’-Dideoxyadenosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
235.24	6	2	0.66				SF_C1769	None		Not checked

SMILES: Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2’,3’-Dideoxyadenosine]	1.09	-0.40	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990

2’,3’-Dideoxyadenosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
235.24	6	2	0.66				SF_C1768	None		Not checked

SMILES: Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2’,3’-Dideoxyadenosine ]	1.47	1.03	7.0	25.0	Circular dichroism spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2’,3’-Dideoxyadenosine ]	1.49	0.79	7.0	25.0	Circular dichroism spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2’,3’-Dideoxyadenosine ]	1.68	0.41	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990

2’-Deoxyadenosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
251.24	7	3	-0.37				SF_C1765	None		Not checked

SMILES: Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2’-Deoxyadenosine]	1.40	0.76	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2’-Deoxyadenosine]	1.52	0.79	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990

3,3 ,4 ,5,7-pentahydroxyflavone-3-rutinoside

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C971	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3,3 ,4 ,5,7-pentahydroxyflavone-3-rutinoside]	2.15	1.30	7.0	25.0	UV-vis spectroscopy	S. Tommasini 2005
[b-Cyclodextrin](1).[3,3 ,4 ,5,7-pentahydroxyflavone-3-rutinoside]	2.18	1.30	7.0	25.0	Circular dichroism spectroscopy	S. Tommasini 2005