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ZINC Item

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13252875

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[(4-phenylthiazol-2-yl)amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[(4-phenylthiazol…

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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)	4.11	9.43	-55.86	1	5	-1	82	349.391	5	↓ MOL2 SDF SMILES Flexibase

13255871

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-acetamidophenyl)…

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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)	3.32	8.32	-63.7	2	7	-1	111	406.443	6	↓ MOL2 SDF SMILES Flexibase

13256539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-methoxyphenyl)th…

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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)	4.16	8.73	-56.95	1	6	-1	91	379.417	6	↓ MOL2 SDF SMILES Flexibase

13256545

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[[4-(p-tolyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(p-tolyl)thia…

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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)	4.55	10.11	-55.88	1	5	-1	82	363.418	5	↓ MOL2 SDF SMILES Flexibase

13256551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-fluorophenyl)thi…

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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)	4.27	9.5	-55.5	1	5	-1	82	367.381	5	↓ MOL2 SDF SMILES Flexibase

13256579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(3,4-dimethylphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-dimethylphenyl…

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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)	4.93	10.64	-56.12	1	5	-1	82	377.445	5	↓ MOL2 SDF SMILES Flexibase

13256609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-methoxyphenyl)-5…

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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)	4.38	9.3	-57.23	1	6	-1	91	393.444	6	↓ MOL2 SDF SMILES Flexibase

13407637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-oxo-3-[[4-(4-propoxyphenyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(4-propoxyphe…

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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)	5.04	10.46	-56.5	1	6	-1	91	407.471	8	↓ MOL2 SDF SMILES Flexibase

13408447

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,4-dimethoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,4-dimethoxypheny…

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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)	4.15	8.5	-58.89	1	7	-1	101	409.443	7	↓ MOL2 SDF SMILES Flexibase

13409397

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,5-dimethylphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-dimethylphenyl…

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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)	4.93	11.29	-55.35	1	5	-1	82	377.445	5	↓ MOL2 SDF SMILES Flexibase

13409477

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-chlorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-chlorophenyl)thi…

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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)	4.78	9.95	-55.06	1	5	-1	82	383.836	5	↓ MOL2 SDF SMILES Flexibase

13409647

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,5-difluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-difluorophenyl…

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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)	4.36	9.48	-55.34	1	5	-1	82	385.371	5	↓ MOL2 SDF SMILES Flexibase

13410781

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[[4-(2,4,5-trimethylphenyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(2,4,5-trimet…

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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)	5.31	11.83	-55.55	1	5	-1	82	391.472	5	↓ MOL2 SDF SMILES Flexibase

13410819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-dimethoxypheny…

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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)	4.15	8.49	-58.23	1	7	-1	101	409.443	7	↓ MOL2 SDF SMILES Flexibase

13411363

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-difluorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-difluorophenyl…

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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)	4.58	10.13	-55.26	1	5	-1	82	399.398	5	↓ MOL2 SDF SMILES Flexibase

13411385

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-fluorophenyl)-5-…

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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)	4.49	10.07	-55.65	1	5	-1	82	381.408	5	↓ MOL2 SDF SMILES Flexibase

13411418

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-chlorophenyl)-5-…

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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)	5.01	10.53	-55.32	1	5	-1	82	397.863	5	↓ MOL2 SDF SMILES Flexibase

13411462

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-dimethylphenyl…

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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)	5.15	11.21	-56.63	1	5	-1	82	391.472	5	↓ MOL2 SDF SMILES Flexibase

13411480

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-bromophenyl)-5-m…

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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)	5.14	10.63	-55.24	1	5	-1	82	442.314	5	↓ MOL2 SDF SMILES Flexibase

13417279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3-bromo-4-methoxy-…

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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)	4.90	9.4	-55.96	1	6	-1	91	458.313	6	↓ MOL2 SDF SMILES Flexibase

13428699

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-difluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-difluorophenyl…

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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)	4.36	9.55	-55.23	1	5	-1	82	385.371	5	↓ MOL2 SDF SMILES Flexibase

946978

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide N-[4-(4-bromophenyl)thiazol-2-yl…

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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)	4.75	0.65	-12.6	1	6	0	84	484.375	7	↓ MOL2 SDF SMILES Flexibase

946988

Analogs

1168248
1945770
3480864
6220769
6341673

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3,4-dimethoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(3,4-dimethoxyphenyl)-N-[4…

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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)	4.29	0.63	-14.04	1	5	0	60	380.469	6	↓ MOL2 SDF SMILES Flexibase

946991

Analogs

1945761
1945766
1945770
1945833
1945873

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-methoxyphenyl)-N-[4-(p-…

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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)	4.70	0.3	-11.53	1	4	0	51	350.443	5	↓ MOL2 SDF SMILES Flexibase

946992

Analogs

1945801
1945831
1945833
1945835
1945839

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-N-[4-(p-t…

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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)	5.32	0.12	-10.41	1	3	0	41	354.862	4	↓ MOL2 SDF SMILES Flexibase

946994

Analogs

1945801
1945835
1945839
1946035
1946046

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(2-chlorophenyl)-N-[4-(p-t…

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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)	5.09	0.13	-11.84	1	3	0	41	354.862	4	↓ MOL2 SDF SMILES Flexibase

946998

Analogs

1945466
1945484
1959369
1959375
2608848

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-ethoxy-3-methoxy-phenyl…

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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)	4.67	0.64	-13.91	1	5	0	60	394.496	7	↓ MOL2 SDF SMILES Flexibase

947000

Analogs

6284480

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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)	4.42	1.36	-11.55	1	5	0	75	375.453	5	↓ MOL2 SDF SMILES Flexibase

947326

Analogs

1959570
6397839
671370

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-prop-2-enamide 3-(3,4-dimethoxyphenyl)-N-[5-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)	4.51	0.53	-14.39	1	5	0	60	394.496	6	↓ MOL2 SDF SMILES Flexibase

947328

Analogs

1945803
1959551
1959570
6397839
6397846

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-methoxyphenyl)-N-[5-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)	4.92	0.18	-11.92	1	4	0	51	364.47	5	↓ MOL2 SDF SMILES Flexibase

947330

Analogs

1945803
1959551
5753143
6375787
6397842

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-N-[5-meth…

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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)	5.54	0	-10.81	1	3	0	41	368.889	4	↓ MOL2 SDF SMILES Flexibase

947332

Analogs

1959575
1959580
2609048
2609050
6397839

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-ethoxy-3-methoxy-phenyl…

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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)	4.89	0.52	-14.4	1	5	0	60	408.523	7	↓ MOL2 SDF SMILES Flexibase

947334

Analogs

5753143

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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)	4.64	1.24	-12.01	1	5	0	75	389.48	5	↓ MOL2 SDF SMILES Flexibase

947336

Analogs

5753143

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-phenyl-acrylamide (E)-2-cyano-N-[5-methyl-4-(p-tol…

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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)	4.59	1.2	-10.87	1	4	0	65	359.454	4	↓ MOL2 SDF SMILES Flexibase

947454

Analogs

1945770
1945793
1945867
1945869
1945873

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(4-phenylthiazol-2-yl)-3-p-phenetyl-acrylamide (E)-N-(4-phenylthiazol-2-yl)-3-p…

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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)	4.63	-0.01	-11.35	1	4	0	51	350.443	6	↓ MOL2 SDF SMILES Flexibase

947456

Analogs

1959227
1965279

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[4-(4-bromophenyl)thiazol-2-yl]-3-p-phenetyl-acrylamide (E)-N-[4-(4-bromophenyl)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)	5.44	-0.76	-10.53	1	4	0	51	429.339	6	↓ MOL2 SDF SMILES Flexibase

947458

Analogs

1945881
1959570
6355293
6397846
6397853

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K87996204-001-01-2 BRD-K87996204-001-01-2

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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)	5.30	0.2	-11.8	1	4	0	51	378.497	6	↓ MOL2 SDF SMILES Flexibase

948251

Analogs

5712956
5712961
5712965
6284480

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-(4-p-phenetylthiazol-2-yl)acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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)	4.41	1.07	-12.52	1	6	0	84	405.479	7	↓ MOL2 SDF SMILES Flexibase

948252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(4-p-phenetylthiazol-2-yl)acrylamide (E)-2-cyano-3-(4-ethoxy-3-methox…

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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)	4.37	10.29	-13.7	1	7	0	93	449.532	9	↓ MOL2 SDF SMILES Flexibase

948303

Analogs

5933339
5938868
6284469
6284475
17079151

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyano-3-(4-isopropylphenyl)-N-(4-phenylthiazol-2-yl)-prop-2-enamide 2-cyano-3-(4-isopropylphenyl)-N-…

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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)	5.43	1.8	-10.28	1	4	0	65	373.481	5	↓ MOL2 SDF SMILES Flexibase

948307

Analogs

5933339
5938868
6284469
6284475
17079151

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-p-cumenyl-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-p-cumenyl-N-[4-(p-…

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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)	5.88	2.12	-10.24	1	4	0	65	387.508	5	↓ MOL2 SDF SMILES Flexibase

948309

Analogs

5753143

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-p-cumenyl-acrylamide (E)-2-cyano-N-[5-methyl-4-(p-tol…

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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)	6.10	2	-10.62	1	4	0	65	401.535	5	↓ MOL2 SDF SMILES Flexibase

949667

Analogs

6284469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide N-[4-(4-chlorophenyl)thiazol-2-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)	4.60	0.85	-9.85	1	4	0	66	365.845	4	↓ MOL2 SDF SMILES Flexibase

1791151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-N-(4-o-phenetylthiazol-2-yl)acrylamide (E)-3-(4-methoxyphenyl)-N-(4-o-p…

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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)	4.64	0.45	-13.48	1	5	0	60	380.469	7	↓ MOL2 SDF SMILES Flexibase

1791154

Analogs

6439708

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-(4-methoxyphenyl)acrylamide (E)-N-[4-(3-chlorophenyl)-5-meth…

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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)	5.13	-0.29	-12.17	1	4	0	51	384.888	5	↓ MOL2 SDF SMILES Flexibase

1791157

Analogs

6375787
6397842

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-phenyl-acrylamide (E)-N-[4-(3-chlorophenyl)-5-meth…

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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)	5.07	-0.32	-10.77	1	3	0	41	354.862	4	↓ MOL2 SDF SMILES Flexibase

1791169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(4-o-phenetylthiazol-2-yl)acrylamide (E)-3-(3-bromo-4-methoxy-phenyl)…

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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)	5.37	10.49	-14.76	1	5	0	60	459.365	7	↓ MOL2 SDF SMILES Flexibase

1791173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]acrylamide (E)-3-(3-bromo-4-methoxy-phenyl)…

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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)	5.62	10.4	-13.34	1	4	0	51	449.757	5	↓ MOL2 SDF SMILES Flexibase

1791197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-2-cyano-N-[4-(3-methoxyphenyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-2-cyano-N…

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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)	4.63	0.89	-13.72	1	5	0	75	395.871	5	↓ MOL2 SDF SMILES Flexibase

1791204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-3-p-cumenyl-acrylamide (E)-N-[4-(3-bromophenyl)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)	6.22	1.04	-8.82	1	4	0	65	452.377	5	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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