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52884531

Analogs

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Popular Name: 6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(3-methylpyrazol-1-yl)imidazo[…

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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)	1.56	7.12	-17.38	0	5	0	52	232.268	2	↓ MOL2 SDF SMILES Flexibase

52884559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(3-isopropylpyrazol-1-yl)imida…

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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)	2.61	8.39	-17.07	0	5	0	52	260.322	3	↓ MOL2 SDF SMILES Flexibase

52884570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazole-5-carboxylic 6-(3-methylpyrazol-1-yl)imidazo[…

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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)	1.34	6.34	-63.94	0	6	-1	75	247.259	2	↓ MOL2 SDF SMILES Flexibase

52884588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazole-5-carboxylic 6-(3-isopropylpyrazol-1-yl)imida…

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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)	2.40	7.61	-65.09	0	6	-1	75	275.313	3	↓ MOL2 SDF SMILES Flexibase

52884603

Analogs

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Popular Name: [6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methanol [6-(3-methylpyrazol-1-yl)imidazo…

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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)	1.10	4.37	-14.62	1	5	0	55	234.284	2	↓ MOL2 SDF SMILES Flexibase

52884655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methanol [6-(3-isopropylpyrazol-1-yl)imid…

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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)	2.16	5.64	-14.02	1	5	0	55	262.338	3	↓ MOL2 SDF SMILES Flexibase

52884681

Analogs

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Popular Name: 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazole 5-(chloromethyl)-6-(3-methylpyra…

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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)	2.34	8.33	-11.75	0	4	0	35	252.73	2	↓ MOL2 SDF SMILES Flexibase

52884709

Analogs

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Popular Name: 5-(chloromethyl)-6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazole 5-(chloromethyl)-6-(3-isopropylp…

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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)	3.40	9.59	-11.23	0	4	0	35	280.784	3	↓ MOL2 SDF SMILES Flexibase

52884713

Analogs

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Popular Name: N-methyl-1-[6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methanamine N-methyl-1-[6-(3-methylpyrazol-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)	1.33	6.97	-41.85	2	5	1	52	248.335	3	↓ MOL2 SDF SMILES Flexibase

52884769

Analogs

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Popular Name: N-[[6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]ethanamine N-[[6-(3-methylpyrazol-1-yl)imid…

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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	7.84	-40.55	2	5	1	52	262.362	4	↓ MOL2 SDF SMILES Flexibase

52884770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methanamine [6-(3-methylpyrazol-1-yl)imidazo…

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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	5.09	-46.95	3	5	1	63	234.308	2	↓ MOL2 SDF SMILES Flexibase

52884771

Analogs

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Popular Name: N-[[6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]propan-1-amine N-[[6-(3-methylpyrazol-1-yl)imid…

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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)	2.21	8.59	-41.01	2	5	1	52	276.389	5	↓ MOL2 SDF SMILES Flexibase

52884773

Analogs

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Popular Name: N-[[6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]propan-2-amine N-[[6-(3-methylpyrazol-1-yl)imid…

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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)	2.00	8.34	-38.22	2	5	1	52	276.389	4	↓ MOL2 SDF SMILES Flexibase

52884848

Analogs

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Popular Name: 1-[6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]-N-methyl-methanamine 1-[6-(3-isopropylpyrazol-1-yl)im…

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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)	2.38	8.23	-41.5	2	5	1	52	276.389	4	↓ MOL2 SDF SMILES Flexibase

52884899

Analogs

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Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]ethanamine N-[[6-(3-isopropylpyrazol-1-yl)i…

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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)	2.76	9.11	-40.11	2	5	1	52	290.416	5	↓ MOL2 SDF SMILES Flexibase

52884900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methanamine [6-(3-isopropylpyrazol-1-yl)imid…

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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)	2.01	6.36	-46.64	3	5	1	63	262.362	3	↓ MOL2 SDF SMILES Flexibase

52884901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]propan-1-amine N-[[6-(3-isopropylpyrazol-1-yl)i…

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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)	3.26	9.86	-40.64	2	5	1	52	304.443	6	↓ MOL2 SDF SMILES Flexibase

52884903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]methyl]propan-2-amine N-[[6-(3-isopropylpyrazol-1-yl)i…

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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)	3.06	9.57	-38.77	2	5	1	52	304.443	5	↓ MOL2 SDF SMILES Flexibase

52884921

Analogs

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Popular Name: (E)-3-[6-(3-methylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]prop-2-enoic (E)-3-[6-(3-methylpyrazol-1-yl)i…

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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)	1.56	7.38	-61.71	0	6	-1	75	273.297	3	↓ MOL2 SDF SMILES Flexibase

52884942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[6-(3-isopropylpyrazol-1-yl)imidazo[2,1-b]thiazol-5-yl]prop-2-enoic (E)-3-[6-(3-isopropylpyrazol-1-y…

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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)	2.62	8.65	-63.18	0	6	-1	75	301.351	4	↓ MOL2 SDF SMILES Flexibase

70328277

Analogs

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Popular Name: 1-(5-formylimidazo[2,1-b]thiazol-6-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(5-formylimidazo[2,1-b]thiazol…

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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)	1.01	6.76	-19.06	0	7	0	73	289.32	3	↓ MOL2 SDF SMILES Flexibase

70328286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(methylcarbamoyl)pyrazol-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[3-(methylcarbamoyl)pyrazol-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)	0.55	4	-55.81	1	8	-1	104	290.284	3	↓ MOL2 SDF SMILES Flexibase

70328288

Analogs

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Popular Name: 6-[3-(dimethylcarbamoyl)pyrazol-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[3-(dimethylcarbamoyl)pyrazol-…

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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)	0.80	6.05	-55.42	0	8	-1	96	304.311	3	↓ MOL2 SDF SMILES Flexibase

70328322

Analogs

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Popular Name: 1-[5-(hydroxymethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[5-(hydroxymethyl)imidazo[2,1-…

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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)	0.56	4.11	-17.14	1	7	0	76	291.336	3	↓ MOL2 SDF SMILES Flexibase

70328381

Analogs

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Popular Name: 1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-(propylaminomethyl)imidazo[…

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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)	1.04	4.75	-50.4	4	7	1	95	305.387	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.04	3.39	-12.21	3	7	0	90	304.379	6	↓ MOL2 SDF SMILES Flexibase

70328418

Analogs

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Popular Name: 1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-[(isopropylamino)methyl]imi…

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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)	0.84	4.52	-48.1	4	7	1	95	305.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	3.32	-12.19	3	7	0	90	304.379	5	↓ MOL2 SDF SMILES Flexibase

70328442

Analogs

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Popular Name: 1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-(ethylaminomethyl)imidazo[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)	0.54	4	-49.75	4	7	1	95	291.36	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.54	2.63	-12.33	3	7	0	90	290.352	5	↓ MOL2 SDF SMILES Flexibase

70328493

Analogs

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Popular Name: N-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide N-methyl-1-[5-(methylaminomethyl…

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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)	0.54	4.63	-50.96	3	7	1	81	291.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.54	3.19	-12.78	2	7	0	76	290.352	4	↓ MOL2 SDF SMILES Flexibase

70328541

Analogs

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Popular Name: 1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]-N-methyl-pyrazole-3-carboxamide 1-[5-(ethylaminomethyl)imidazo[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)	0.91	5.49	-49.89	3	7	1	81	305.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	4.12	-12.6	2	7	0	76	304.379	5	↓ MOL2 SDF SMILES Flexibase

70328574

Analogs

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Popular Name: N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide N,N-dimethyl-1-[5-(methylaminome…

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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)	0.78	6.63	-52.31	2	7	1	72	305.387	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.78	5.19	-12.74	1	7	0	67	304.379	4	↓ MOL2 SDF SMILES Flexibase

70328607

Analogs

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Popular Name: 1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[5-(aminomethyl)imidazo[2,1-b]…

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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)	0.41	4.77	-58.9	3	7	1	83	291.36	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.41	4.42	-15.55	2	7	0	81	290.352	3	↓ MOL2 SDF SMILES Flexibase

70328764

Analogs

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Popular Name: 1-[5-[(2S)-2-aminobutyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-[(2S)-2-aminobutyl]imidazo[…

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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)	0.52	3.59	-44.42	5	7	1	106	305.387	5	↓ MOL2 SDF SMILES Flexibase

70328766

Analogs

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Popular Name: 1-[5-[(2R)-2-aminobutyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-[(2R)-2-aminobutyl]imidazo[…

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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)	0.52	3.61	-56.3	5	7	1	106	305.387	5	↓ MOL2 SDF SMILES Flexibase

70328778

Analogs

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Popular Name: 1-[5-[(2S)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-[(2S)-2-aminopropyl]imidazo…

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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)	-0.01	2.77	-45.06	5	7	1	106	291.36	4	↓ MOL2 SDF SMILES Flexibase

70328779

Analogs

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Popular Name: 1-[5-[(2R)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-3-carboxamide 1-[5-[(2R)-2-aminopropyl]imidazo…

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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)	-0.01	2.8	-56.39	5	7	1	106	291.36	4	↓ MOL2 SDF SMILES Flexibase

70328823

Analogs

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Popular Name: 1-[5-(2-aminoethyl)imidazo[2,1-b]thiazol-6-yl]-N-methyl-pyrazole-3-carboxamide 1-[5-(2-aminoethyl)imidazo[2,1-b…

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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)	-0.04	3.52	-60.71	4	7	1	92	291.36	4	↓ MOL2 SDF SMILES Flexibase

70328854

Analogs

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Popular Name: 1-[5-[(2S)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]-N-methyl-pyrazole-3-carboxamide 1-[5-[(2S)-2-aminopropyl]imidazo…

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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)	0.36	4.27	-45	4	7	1	92	305.387	4	↓ MOL2 SDF SMILES Flexibase

70328856

Analogs

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Popular Name: 1-[5-[(2R)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]-N-methyl-pyrazole-3-carboxamide 1-[5-[(2R)-2-aminopropyl]imidazo…

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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)	0.36	4.29	-56.57	4	7	1	92	305.387	4	↓ MOL2 SDF SMILES Flexibase

70328909

Analogs

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Popular Name: 1-[5-(2-aminoethyl)imidazo[2,1-b]thiazol-6-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[5-(2-aminoethyl)imidazo[2,1-b…

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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)	0.21	5.53	-63.66	3	7	1	83	305.387	4	↓ MOL2 SDF SMILES Flexibase

70329163

Analogs

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Popular Name: 1-[5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-(propylaminomethyl)imidazo[…

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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)	0.73	4.77	-51.75	4	7	1	95	305.387	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.73	3.4	-16.08	3	7	0	90	304.379	6	↓ MOL2 SDF SMILES Flexibase

70329202

Analogs

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Popular Name: 1-[5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-[(isopropylamino)methyl]imi…

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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)	0.52	4.53	-49.58	4	7	1	95	305.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	3.33	-16.01	3	7	0	90	304.379	5	↓ MOL2 SDF SMILES Flexibase

70329229

Analogs

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Popular Name: 1-[5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-(ethylaminomethyl)imidazo[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)	0.23	4.01	-51.18	4	7	1	95	291.36	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.23	2.63	-16.28	3	7	0	90	290.352	5	↓ MOL2 SDF SMILES Flexibase

70329302

Analogs

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Popular Name: 1-[5-[(2S)-2-aminobutyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-[(2S)-2-aminobutyl]imidazo[…

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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)	0.21	3.61	-47.35	5	7	1	106	305.387	5	↓ MOL2 SDF SMILES Flexibase

70329304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(2R)-2-aminobutyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-[(2R)-2-aminobutyl]imidazo[…

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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)	0.21	3.62	-57.3	5	7	1	106	305.387	5	↓ MOL2 SDF SMILES Flexibase

70329313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(2S)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-[(2S)-2-aminopropyl]imidazo…

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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)	-0.32	2.8	-48.02	5	7	1	106	291.36	4	↓ MOL2 SDF SMILES Flexibase

70329315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(2R)-2-aminopropyl]imidazo[2,1-b]thiazol-6-yl]pyrazole-4-carboxamide 1-[5-[(2R)-2-aminopropyl]imidazo…

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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)	-0.32	2.8	-57.57	5	7	1	106	291.36	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30777
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 30777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30777&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "30777"        

    });
</script>

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