OpenMolDB

(CH3)3C-ONO (tert-butyl nitrite)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_337	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(CH3)3C-ONO (tert-butyl nitrite)]	2.23	0.48	1.85	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[(CH3)3C-ONO (tert-butyl nitrite)]	2.17	0.30	4.89	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[(CH3)3C-ONO (tert-butyl nitrite)]	1.72	0.30	13.3	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[(CH3)3C-ONO (tert-butyl nitrite)]	2.16	0.70	11.35	25.0	UV-vis spectroscopy	Emilia Iglesias 1998

(M)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C386	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(M)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	3.34	2.00	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[g-Cyclodextrin](1).[(M)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	2.84	1.30	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[maltoheptaose](1).[(M)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	1.65	0.70	7.0	25.0	NMR spectroscopy	George W. Gokel 2003

(N-adamantan-1'-ylpyrazinium)pentacyanoferrate (II)-ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_a0008	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(N-adamantan-1'-ylpyrazinium)pentacyanoferrate (II)-ion]	1.86		6.8	25.0	1H NMR chemical shift titration and visible spectrophotometric titration	Donald H. Macartney 1993
[b-Cyclodextrin](1).[(N-adamantan-1'-ylpyrazinium)pentacyanoferrate (II)-ion]	3.20		6.8	25.0	1H NMR chemical shift titration and visible spectrophotometric titration	Donald H. Macartney 1993

(P)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C385	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(P)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	4.27	3.23	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[g-Cyclodextrin](1).[(P)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	3.49	2.00	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[maltoheptaose](1).[(P)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid]	1.91	0.85	7.0	25.0	NMR spectroscopy	George W. Gokel 2003

(R)-(-)-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				VR_C94	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(R)-(-)-2-butanol]	1.39	0.11	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(R)-(-)-2-butanol]	1.11	0.60	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(R)-(-)-2-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				VR_C101	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(R)-(-)-2-heptanol]	2.88	2.28	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(R)-(-)-2-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				VR_C99	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(R)-(-)-2-hexanol]	2.54	1.23	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(R)-(-)-2-hexanol]	2.07	1.79	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(R)-(-)-2-octanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.34				SF_C1021	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).[(R)-(-)-2-octanol ]	2.51		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

(R)-(-)-2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				VR_C97	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(R)-(-)-2-pentanol]	2.10	0.60	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(R)-(-)-2-pentanol]	1.52	1.08	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(R)-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_C1197	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).[(R)-1,7-dioxaspiro[5.5]undecane]	2.57	1.52	7.0	25.0	NMR spectroscopy	Irene M. Mavridis 2001

(R)-1-cyclohexylethyl-amine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.23	1	1	2.61				SF_C1599	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).[(R)-1-cyclohexylethyl-amine ]	2.27	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(R)-1-cyclohexylethyl-amine ]	2.52	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

(R)-10-camphorsulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
232.30	4	1	2.35				SF_C1554	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).[(R)-10-camphorsulfonic acid]	2.89	0.90	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[(R)-10-camphorsulfonic acid]	2.75	1.00	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

(R)-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_a0042	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].[(R)-2-Amino-3-hydroxy-propionic acid]	3.15		7.2	20.0	N.A.	Liu, Yu; Yoshihisa Inoue 1998

(R)-2-Amino-3-methyl-butyric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				NT_a0044	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-3-methyl-butyric acid]	2.78		7.2	20.0	N.A.	Liu, Yu; Yoshihisa Inoue 1998

(R)-2-Amino-4-methyl-pentanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
131.17	3	2	1.14				NT_a0046	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-(m-toluidinyl)-6-deoxy-b-cyclodextrin].[(R)-2-Amino-4-methyl-pentanoic acid]	3.00		7.2	20.0	N.A.	Liu, Yu; Yoshihisa Inoue 1998