OpenMolDB

praziquantel

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.41	4	0	2.41				VR_C18	None		Not checked

SMILES: O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](4).[praziquantel]	1.75	30.0	UV spectroscopy	Gordon Becket 1999
[b-Cyclodextrin](1.7).[praziquantel]	2.60	30.0	UV spectroscopy	Gordon Becket 1999
[g-Cyclodextrin](2).[praziquantel]	1.18	30.0	UV spectroscopy	Gordon Becket 1999

prazosin hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
419.86	8	1	-0.63				SF_C484	None		Not checked

SMILES: [H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[prazosin hydrochloride]	1.47	0.40	7.0	25.0	UV-vis spectroscopy	Longxiao Liu 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[prazosin hydrochloride]	1.32	0.46	7.0	25.0	UV-vis spectroscopy	Longxiao Liu 2006

prednisolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	3	1.56				JN_260	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[prednisolone]	2.46	0.85	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[a-Cyclodextrin](1).[prednisolone]	2.47			25.0	NMR, UV-vis spectroscopy, X-ray diffraction	Kim L.Larsen 2005
[b-Cyclodextrin](1).[prednisolone]	3.54	2.14	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[b-Cyclodextrin](1).[prednisolone]	3.48			25.0	NMR, UV-vis spectroscopy, X-ray diffraction	Kim L.Larsen 2005
[g-Cyclodextrin](1).[prednisolone]	3.25	1.68	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[g-Cyclodextrin](1).[prednisolone]	3.51			25.0	NMR, UV-vis spectroscopy, X-ray diffraction	Kim L.Larsen 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[prednisolone]	3.39	1.75	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[prednisolone]	3.12			25.0	UV-vis spectroscopy	Kim L.Larsen 2005
[6-O-R-maltosyl-b-CD](1).[prednisolone]	3.48	1.88	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005
[6-O-R-maltosyl-b-CD](1).[prednisolone]	3.41			25.0		Kim L.Larsen 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-g-cyclodextrin](1).[prednisolone]	3.50	1.93	5.5	25.0	NMR spectroscopy	Kim L.Larsen 2005

prednisolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.44	5	3	1.56				JN_437	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[pyrene-appended GCD (g-P1)](1).[prednisolone]	2.60			25.0	absorption and fluorescence spectroscopy	Akihiko Ueno 1990

prilocaine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
220.31	3	2	2.79				JN_44	None		Not checked

SMILES: CCCNC(C)C(=O)Nc1ccccc1C

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[prilocaine]	1.98	0.04	25.0	HPLC	Gilles Dollo 1996
[b-Cyclodextrin](1).[prilocaine]	1.83	0.52	37.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[prilocaine]	1.69	0.04	25.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[prilocaine]	1.72	0.38	37.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[prilocaine]	1.48	-0.70	25.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[prilocaine]	1.46	0.08	37.0	HPLC	Gilles Dollo 1996

procaine hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.77	4	1	-0.65				NT_a0048	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)c1ccc(N)cc1

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[procaine hydrochloride]	2.63	15.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.57	20.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.52	25.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.45	30.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.40	35.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.33	40.0	Steady-state fluorescence	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.47	15.0	UV-vis measurements	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.31	25.0	UV-vis measurements	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	2.18	40.0	UV-vis measurements	Aicart, E. 2000
[b-Cyclodextrin](1).[procaine hydrochloride]	0.14		Constant current coulometric titration (CCCT)	Jinghao Pan 1999
[b-Cyclodextrin](1).[procaine hydrochloride]	0.00		Fluorescence spectroscopy	Jinghao Pan 1999

procaine hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.77	4	1	-0.65				SF_C1195	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)c1ccc(N)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.98	1.60	3.3	20.0	HPLC-method	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	3.55	2.82	4.4	20.0	HPLC-method	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	3.70	2.98	5.3	20.0	HPLC-method	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.96	2.08	6.0	20.0	HPLC-method	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.68	1.30	6.5	20.0	HPLC-method	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.52	1.43	3.3	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.62	1.23	4.4	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.88	1.67	5.3	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	3.30	1.46	6.0	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	3.31	2.14	6.5	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[procaine hydrochloride]	2.96	1.76	7.5	20.0	Fluorescence spectroscopy	Martin M.F. Choi 2001

procaine hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.77	4	1	-0.65				VR_C26	None		Not checked

SMILES: [H+].[Cl-].CCN(CC)CCOC(=O)c1ccc(N)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

proflavin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
209.25	3	2	3.71				SF_C1251	None		Not checked

SMILES: Nc1ccc2cc3ccc(N)cc3nc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[proflavin]	2.74	1.78	1.8		UV-vis spectroscopy	Itamar Willner 1989

progesterone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
314.46	2	0	4.72				SF_C1679	None		Not checked

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[progesterone]	4.39		7.0	30.0	UV-vis spectroscopy	Ashim K. Mitra 1990
[b-Cyclodextrin](2).[progesterone]	2.84		7.0	30.0	UV-vis spectroscopy	Ashim K. Mitra 1990

progesterone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
314.46	2	0	4.72				JN_434	None		Not checked

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[pyrene-appended GCD (g-P1)](1).[progesterone]	3.94			25.0	absorption and fluorescence spectroscopy	Akihiko Ueno 1990

propane-1,3-diol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				SF_C1436	None		Not checked

SMILES: OCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[propane-1,3-diol]	0.63		7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998

propanesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.15	2	0	1.02				SF_C1207	None		Not checked

SMILES: CCC[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[propanesulfonate]	1.36	0.10	7.0	25.0	NMR spectroscopy	Noriaki Funasaki 2002

propanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.08	2	1	0.48				SF_C1416	None		Not checked

SMILES: CCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[propanoic acid]	1.74		1.3	25.0	Calorimetry	Giuseppina Castronuovo 1998

propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				SF_C1206	None		Not checked

SMILES: CCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[propanol]	1.33	-0.82	7.0	25.0	NMR spectroscopy	Noriaki Funasaki 2002