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ZINC Item

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54862207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopropylethyl]-methyl-amino]thiazole-5-carbaldehyde 2-[[(1S)-1-cyclopropylethyl]-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	6.14	-7.98	0	3	0	33	210.302	4	↓ MOL2 SDF SMILES Flexibase

54862209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopropylethyl]-methyl-amino]thiazole-5-carbaldehyde 2-[[(1R)-1-cyclopropylethyl]-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	6.19	-8.2	0	3	0	33	210.302	4	↓ MOL2 SDF SMILES Flexibase

54862224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-cyclopropylethyl]-methyl-amino]thiazol-5-yl]ethanone 1-[2-[[(1S)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	6.8	-9.1	0	3	0	33	224.329	4	↓ MOL2 SDF SMILES Flexibase

54862225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-cyclopropylethyl]-methyl-amino]thiazol-5-yl]ethanone 1-[2-[[(1R)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	6.86	-9.17	0	3	0	33	224.329	4	↓ MOL2 SDF SMILES Flexibase

54862227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-cyclopropylethyl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(1S)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	7.45	-7.89	0	3	0	33	238.356	4	↓ MOL2 SDF SMILES Flexibase

54862229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-cyclopropylethyl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(1R)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	7.48	-7.75	0	3	0	33	238.356	4	↓ MOL2 SDF SMILES Flexibase

54862586

Analogs

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Popular Name: 2-[cyclopropylmethyl(methyl)amino]thiazole-5-carbaldehyde 2-[cyclopropylmethyl(methyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	5.77	-8.46	0	3	0	33	196.275	4	↓ MOL2 SDF SMILES Flexibase

54862592

Analogs

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Popular Name: 1-[2-[cyclopropylmethyl(methyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(methyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.54	-9.57	0	3	0	33	210.302	4	↓ MOL2 SDF SMILES Flexibase

54862594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropylmethyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(methyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	7.09	-8.09	0	3	0	33	224.329	4	↓ MOL2 SDF SMILES Flexibase

54862947

Analogs

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Popular Name: 2-[cyclopropylmethyl(propyl)amino]thiazole-5-carbaldehyde 2-[cyclopropylmethyl(propyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	7.47	-7.64	0	3	0	33	224.329	6	↓ MOL2 SDF SMILES Flexibase

54862952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropylmethyl(propyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(propyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	8.18	-9.14	0	3	0	33	238.356	6	↓ MOL2 SDF SMILES Flexibase

54862954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(propyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.79	-7.57	0	3	0	33	252.383	6	↓ MOL2 SDF SMILES Flexibase

54863326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]thiazole-5-carbaldehyde 2-[[(1S)-1-cyclopropylethyl]-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	6.46	-9.04	0	4	0	42	254.355	7	↓ MOL2 SDF SMILES Flexibase

54863329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]thiazole-5-carbaldehyde 2-[[(1R)-1-cyclopropylethyl]-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	6.53	-9.59	0	4	0	42	254.355	7	↓ MOL2 SDF SMILES Flexibase

54863335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]thiazol-5-yl]ethanone 1-[2-[[(1S)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	7.13	-10.86	0	4	0	42	268.382	7	↓ MOL2 SDF SMILES Flexibase

54863337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]thiazol-5-yl]ethanone 1-[2-[[(1R)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	7.2	-11.21	0	4	0	42	268.382	7	↓ MOL2 SDF SMILES Flexibase

54863339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(1S)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	7.77	-7.4	0	4	0	42	282.409	7	↓ MOL2 SDF SMILES Flexibase

54863341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(1R)-1-cyclopropylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	7.88	-7.92	0	4	0	42	282.409	7	↓ MOL2 SDF SMILES Flexibase

54863652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropylmethyl(isopropyl)amino]thiazole-5-carbaldehyde 2-[cyclopropylmethyl(isopropyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	6.78	-8.5	0	3	0	33	224.329	5	↓ MOL2 SDF SMILES Flexibase

54863660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropylmethyl(isopropyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(isopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	7.45	-9.55	0	3	0	33	238.356	5	↓ MOL2 SDF SMILES Flexibase

54863662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopropylmethyl(isopropyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(isopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.35	-7.41	0	3	0	33	252.383	5	↓ MOL2 SDF SMILES Flexibase

54895692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	5.58	-43.62	3	3	1	44	240.396	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.62	5.25	-5.05	2	3	0	42	239.388	4	↓ MOL2 SDF SMILES Flexibase

54895695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1R)-1-cyclopropylethyl]-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1R)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	5.66	-43.55	3	3	1	44	240.396	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.62	5.32	-5.01	2	3	0	42	239.388	4	↓ MOL2 SDF SMILES Flexibase

54895703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-[(1S)-1-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	4.43	-44.55	3	3	1	44	212.342	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.72	4.02	-5.41	2	3	0	42	211.334	4	↓ MOL2 SDF SMILES Flexibase

54895706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-[(1R)-1-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	4.48	-44.65	3	3	1	44	212.342	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.72	4.08	-5.46	2	3	0	42	211.334	4	↓ MOL2 SDF SMILES Flexibase

54895720

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.40	5.15	-43.22	3	3	1	44	226.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	4.83	-5.47	2	3	0	42	225.361	4	↓ MOL2 SDF SMILES Flexibase

54895722

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.40	5.09	-43.1	3	3	1	44	226.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	4.75	-5.12	2	3	0	42	225.361	4	↓ MOL2 SDF SMILES Flexibase

54896365

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	5.24	-43.35	3	3	1	44	226.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.29	4.91	-4.91	2	3	0	42	225.361	4	↓ MOL2 SDF SMILES Flexibase

54896367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	5.25	-43.2	3	3	1	44	226.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.29	4.93	-5.84	2	3	0	42	225.361	4	↓ MOL2 SDF SMILES Flexibase

54896374

Analogs

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Popular Name: 5-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-(cyclopropylme…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	4.07	-44.75	3	3	1	44	198.315	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.39	3.67	-5.87	2	3	0	42	197.307	4	↓ MOL2 SDF SMILES Flexibase

54896387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.07	4.74	-43.03	3	3	1	44	212.342	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.07	4.41	-5.41	2	3	0	42	211.334	4	↓ MOL2 SDF SMILES Flexibase

54896390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.07	4.74	-43.11	3	3	1	44	212.342	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.07	4.4	-5.12	2	3	0	42	211.334	4	↓ MOL2 SDF SMILES Flexibase

54897039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-4-methyl-N-propyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.17	6.95	-43.11	3	3	1	44	254.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.17	6.6	-5.47	2	3	0	42	253.415	6	↓ MOL2 SDF SMILES Flexibase

54897042

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-4-methyl-N-propyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.17	6.96	-42.88	3	3	1	44	254.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.17	6.62	-5.63	2	3	0	42	253.415	6	↓ MOL2 SDF SMILES Flexibase

54897050

Analogs

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Popular Name: 5-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-thiazol-2-amine 5-(aminomethyl)-N-(cyclopropylme…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	5.77	-44.21	3	3	1	44	226.369	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	5.37	-5.28	2	3	0	42	225.361	6	↓ MOL2 SDF SMILES Flexibase

54897058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.95	6.44	-42.78	3	3	1	44	240.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.95	6.1	-4.31	2	3	0	42	239.388	6	↓ MOL2 SDF SMILES Flexibase

54897061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.95	6.44	-42.83	3	3	1	44	240.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.95	6.12	-5.21	2	3	0	42	239.388	6	↓ MOL2 SDF SMILES Flexibase

54897845

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	5.91	-43.12	3	4	1	53	284.449	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.60	5.58	-4.14	2	4	0	51	283.441	7	↓ MOL2 SDF SMILES Flexibase

54897848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1R)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	6.02	-43.62	3	4	1	53	284.449	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.60	5.69	-4.71	2	4	0	51	283.441	7	↓ MOL2 SDF SMILES Flexibase

54897850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)thiazol-2-amine 5-(aminomethyl)-N-[(1S)-1-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	4.76	-42.99	3	4	1	53	256.395	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.70	4.35	-6.22	2	4	0	51	255.387	7	↓ MOL2 SDF SMILES Flexibase

54897852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)thiazol-2-amine 5-(aminomethyl)-N-[(1R)-1-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	4.84	-43.43	3	4	1	53	256.395	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.70	4.43	-6.89	2	4	0	51	255.387	7	↓ MOL2 SDF SMILES Flexibase

54897861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	5.5	-43.48	3	4	1	53	270.422	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	5.18	-5.39	2	4	0	51	269.414	7	↓ MOL2 SDF SMILES Flexibase

54897864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(1S)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	5.5	-43.34	3	4	1	53	270.422	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	5.16	-5.15	2	4	0	51	269.414	7	↓ MOL2 SDF SMILES Flexibase

54898444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-isopropyl-4-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	6.45	-42.58	3	3	1	44	254.423	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.96	6.1	-5.18	2	3	0	42	253.415	5	↓ MOL2 SDF SMILES Flexibase

54898452

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-isopropyl-4-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	6.46	-42.52	3	3	1	44	254.423	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.96	6.12	-5.36	2	3	0	42	253.415	5	↓ MOL2 SDF SMILES Flexibase

54898461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-(cyclopropylmethyl)-N-isopropyl-thiazol-2-amine 5-(aminomethyl)-N-(cyclopropylme…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	5.12	-43.9	3	3	1	44	226.369	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.06	4.72	-5.91	2	3	0	42	225.361	5	↓ MOL2 SDF SMILES Flexibase

54898469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-isopropyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	5.94	-42.55	3	3	1	44	240.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.74	5.6	-4.58	2	3	0	42	239.388	5	↓ MOL2 SDF SMILES Flexibase

54898472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-isopropyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(cyclopr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	5.94	-42.42	3	3	1	44	240.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.74	5.61	-4.97	2	3	0	42	239.388	5	↓ MOL2 SDF SMILES Flexibase

68948817

Analogs

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Popular Name: 1-[2-[cyclopropylmethyl(ethyl)amino]thiazol-5-yl]ethanone 1-[2-[cyclopropylmethyl(ethyl)am…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	7.49	-9.42	0	3	0	33	224.329	5	↓ MOL2 SDF SMILES Flexibase

68948819

Analogs

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]thiazole-5-carbaldehyde 2-[cyclopropylmethyl(ethyl)amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	6.71	-8.02	0	3	0	33	210.302	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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