OpenMolDB

N-Methylimidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
82.10	1	0	0.42				nt0580	None		Not checked

SMILES: Cn1ccnc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[N-Methylimidazole]	1.13			25.0		Kenneth A. Connors 1995

N-Phenylanthranilic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
213.23	3	2	3.20				nt1711	None		Not checked

SMILES: OC(=O)c1ccccc1Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-Phenylanthranilic acid]	2.66			25.0		Kenneth A. Connors 1995

N-Phenylanthranilic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.22	2	1	1.87				nt1712	None		Not checked

SMILES: O=C([O-])C1=CC=CC=C1NC2=CC=CC=C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-Phenylanthranilic acid anion]	2.96			25.0		Kenneth A. Connors 1995

N-Phenylanthranilic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.22	2	1	1.87				nt1713	None		Not checked

SMILES: O=C([O-])C1=CC=CC=C1NC2=CC=CC=C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-[3a,7a,12a-trihydroxy-24-oxocholan-24-yl]glycine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
465.62	7	5	2.96				VR_C36	None		Not checked

SMILES: C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[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
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[N-[3a,7a,12a-trihydroxy-24-oxocholan-24-yl]glycine]	2.98	2.25		25.0	Isothermal Titration Calorimetry	Fredrik Ollila 2001

N-acetyl-D-phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	4	2	1.21				SF_C1566	None		Not checked

SMILES: CC(=O)N[C@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-D-phenylalanine]	1.76	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-D-phenylalanine]	1.78	0.11	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-D-tryptophan

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
246.26	4	3	1.69				SF_C1548	None		Not checked

SMILES: CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-D-tryptophan ]	1.19	-0.22	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-D-tryptophan ]	1.10	-0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-D-tyrosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
223.23	5	3	0.91				SF_C1550	None		Not checked

SMILES: CC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.06	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-D-tyrosine]	2.09	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-D-tyrosine]	2.10	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004

N-acetyl-D-tyrosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
223.23	5	3	0.91				SF_C961	None		Not checked

SMILES: CC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[N-acetyl-D-tyrosine]	0.95	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.16	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.31	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-D-tyrosine]	2.13	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004

N-acetyl-L-phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	4	2	1.21				SF_C1028	None		Not checked

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-acetyl-L-phenylalanine]	1.78	0.11	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[N-acetyl-L-phenylalanine]	1.83	0.15	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-L-phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	4	2	1.21				SF_C1567	None		Not checked

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-L-phenylalanine]	1.89		6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-L-phenylalanine-d8

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
206.22	3	1	-0.13				SF_C1535	None		Not checked

SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-acetyl-L-phenylalanine-d8 ]	1.83	0.15	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-L-tryptophan

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
246.26	4	3	1.69				SF_C1030	None		Not checked

SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-acetyl-L-tryptophan]	1.10	-0.30	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

N-acetyl-L-tryptophan

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
246.26	4	3	1.69				SF_C1549	None		Not checked

SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-L-tryptophan ]	1.42	-0.10	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-L-tryptophan ]	1.23	-0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

N-acetyl-L-tyrosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
223.23	5	3	0.91				SF_C1032	None		Not checked

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-acetyl-L-tyrosine]	2.10	0.30	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[N-acetyl-L-tyrosine]	2.11	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[N-acetyl-L-tyrosine]	2.11	0.30	6.9	25.0	Isothermal titration calorimetry	Yoshihisa Inoue 2004