OpenMolDB

(R)1-cyclohexylethylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.23	1	1	2.61				SF_C1540	None		Not checked

SMILES: C[C@@H](N)C1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(R)1-cyclohexylethylamine ]	2.52	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

(S)-(+)-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				VR_C93	None		Not checked

SMILES: CC[C@H](C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(S)-(+)-2-butanol]	1.38	0.34	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(S)-(+)-2-butanol]	1.30	0.70	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(S)-(+)-2-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				VR_C100	None		Not checked

SMILES: CCCCC[C@H](C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(S)-(+)-2-heptanol]	2.88	2.10	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(S)-(+)-2-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				VR_C98	None		Not checked

SMILES: CCCC[C@H](C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(S)-(+)-2-hexanol]	2.54	1.04	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(S)-(+)-2-octanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.34				SF_C1020	None		Not checked

SMILES: CCCCCC[C@H](C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(p-metholxylphenylseleno)-6-deoxy]-b-cyclodextrin](1).[(S)-(+)-2-octanol]	2.46		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

(S)-(+)-2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				VR_C96	None		Not checked

SMILES: CCC[C@H](C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(S)-(+)-2-pentanol]	2.10	0.48	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(S)-(+)-2-pentanol]	1.51	1.04	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1701	None		Not checked

SMILES: O=C(O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	3.32	0.02	2.5	20.0	Fluorescence spectroscopy	Graciela M. Escandar 2001
[b-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	3.00	0.30	2.5	20.0	Potentiometry	Graciela M. Escandar 2001
[b-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	2.71	0.02	10.0	20.0	Fluorescence spectroscopy	Graciela M. Escandar 2001
[b-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	2.80	0.30	10.0	20.0	Potentiometry	Graciela M. Escandar 2001
[g-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	2.58	0.05	2.5	20.0	Fluorescence spectroscopy	Graciela M. Escandar 2001
[g-Cyclodextrin](1).[(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid]	2.47	0.07	10.0	20.0	Fluorescence spectroscopy	Graciela M. Escandar 2001

(S)-(+)-6-methoxy-a-methyl-2-naphthaleneacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
230.26	3	1	3.04				SF_C1702	None		Not checked

SMILES: O=C(O)[C@@H](C)C1=CC=C2C=C(OC)C=CC2=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

(S)-1,7-dioxaspiro[5.5]undecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.22	2	0	2.08				SF_C1196	None		Not checked

SMILES: C1CCOC2(C1)CCCCO2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[(S)-1,7-dioxaspiro[5.5]undecane]	2.98	1.97	7.0	25.0	NMR spectroscopy	Irene M. Mavridis 2001

(S)-1-cyclohexylethyl-amine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.23	1	1	2.61				SF_C1600	None		Not checked

SMILES: C[C@H](N)C1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-1-cyclohexylethyl-amine ]	2.29	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-1-cyclohexylethyl-amine ]	2.52	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

(S)-1-cyclohexylethylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.23	1	1	2.61				SF_C1068	None		Not checked

SMILES: C[C@H](N)C1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(S)-1-cyclohexylethylamine ]	2.52	0.48	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(S)-1-phenyl-1,2-ethanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.16	2	2	0.71				SF_C1098	None		Not checked

SMILES: OC[C@@H](O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(S)-1-phenyl-1,2-ethanediol ]	1.79		6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(S)-10-camphorsulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
232.30	4	1	2.35				SF_C1062	None		Not checked

SMILES: CC1(C)C2CC[C@@]1(C[S](O)(=O)=O)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(S)-10-camphorsulfonic acid]	2.75	1.00	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(S)-10-camphorsulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
232.30	4	1	2.35				SF_C1555	None		Not checked

SMILES: CC1(C)C2CC[C@@]1(C[S](O)(=O)=O)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[(S)-10-camphorsulfonic acid ]	2.92	0.95	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(S)-10-camphorsulfonic acid ]	2.69	1.00	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

(S)-2-Amino-3-hydroxy-propionic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
105.09	4	3	-0.91				NT_a0041	None		Not checked

SMILES: N[C@@H](CO)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(S)-2-Amino-3-hydroxy-propionic acid]	2.93		7.2	20.0	N.A.	Liu, Yu; Yoshihisa Inoue 1998