ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36639759

Analogs

36639760
36639777
36639778
36639942
36639943

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-sulfamoylphenyl)methyl]…

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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)	3.34	5.07	-20.42	3	7	0	115	413.48	5	↓ MOL2 SDF SMILES Flexibase

36639760

Analogs

36639759

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[4-methyl-5-[(4-sulfamoylpheny…

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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)	3.56	5.57	-20.62	3	7	0	115	427.507	5	↓ MOL2 SDF SMILES Flexibase

36639761

Analogs

41308679
818329
3419990

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)benzofuran-2-carboxamide N-(5-benzyl-4-methyl-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)	4.87	10.6	-12.97	1	4	0	55	348.427	4	↓ MOL2 SDF SMILES Flexibase

36639762

Analogs

41308679
1052577
2708303

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[4-methyl-5-[[3-(trifluorometh…

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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)	5.74	11.62	-14.29	1	4	0	55	416.424	5	↓ MOL2 SDF SMILES Flexibase

36639763

Analogs

4539405

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[4-methyl-5-[(3-nitrophenyl)me…

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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)	4.80	11.32	-18.33	1	7	0	101	393.424	5	↓ MOL2 SDF SMILES Flexibase

36639764

Analogs

41308679
4539405
818329

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[4-methyl-5-[(4-nitrophenyl)me…

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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)	4.83	11.32	-18.74	1	7	0	101	393.424	5	↓ MOL2 SDF SMILES Flexibase

36639765

Analogs

2708302

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-fluorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-fluorophenyl)methyl]-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)	5.03	10.66	-14.43	1	4	0	55	366.417	4	↓ MOL2 SDF SMILES Flexibase

36639766

Analogs

3419990

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-methoxyphenyl)methyl]-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)	4.93	9.9	-14.88	1	5	0	64	378.453	5	↓ MOL2 SDF SMILES Flexibase

36639767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-chlorophenyl)methyl]-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)	5.55	11.13	-13.75	1	4	0	55	382.872	4	↓ MOL2 SDF SMILES Flexibase

36639768

Analogs

39846731
39846803
39846820
39846914
41308679

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(3-chlorophenyl)methyl]-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)	5.52	11.12	-13.39	1	4	0	55	382.872	4	↓ MOL2 SDF SMILES Flexibase

36639769

Analogs

39897567
9489436
1052572

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(2-chlorophenyl)methyl]-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)	5.50	10.98	-13.04	1	4	0	55	382.872	4	↓ MOL2 SDF SMILES Flexibase

36639770

Analogs

39846731
39846803
39897571
41308679
41311366

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(3,4-dichlorophenyl)methyl…

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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)	6.15	11.56	-14.45	1	4	0	55	417.317	4	↓ MOL2 SDF SMILES Flexibase

36639771

Analogs

39897570
1052572
9489436

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(2,5-dichlorophenyl)methyl…

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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)	6.15	11.49	-12.5	1	4	0	55	417.317	4	↓ MOL2 SDF SMILES Flexibase

36639772

Analogs

41308679
3419990
28250214
818329

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-bromophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(3-bromophenyl)methyl]-4-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)	5.65	11.22	-13.38	1	4	0	55	427.323	4	↓ MOL2 SDF SMILES Flexibase

36639773

Analogs

39846896

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-bromophenyl)methyl]-4-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)	5.68	11.23	-13.68	1	4	0	55	427.323	4	↓ MOL2 SDF SMILES Flexibase

36639774

Analogs

39846859
39897591
39897710
1052577
1052572

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[[2-chloro-5-(trifluorometh…

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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)	6.37	11.91	-13.13	1	4	0	55	450.869	5	↓ MOL2 SDF SMILES Flexibase

36639775

Analogs

39846731
39846743
39846803
39846820
39846896

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)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)	6.06	11.17	-13.89	1	4	0	55	447.741	4	↓ MOL2 SDF SMILES Flexibase

36639776

Analogs

41308679
41311366
41311369
1052572
3419990

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)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)	6.28	11.67	-14.41	1	4	0	55	461.768	4	↓ MOL2 SDF SMILES Flexibase

36639777

Analogs

39897585
39897588
36639759

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(4-sulfamoylpheny…

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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)	4.00	5.58	-20.28	3	7	0	115	447.925	5	↓ MOL2 SDF SMILES Flexibase

36639778

Analogs

41308679
41311366
41311369
36639759
15637057

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[4-methyl-5-[(4-sulfa…

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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)	4.22	6.08	-19.57	3	7	0	115	461.952	5	↓ MOL2 SDF SMILES Flexibase

36639779

Analogs

39897585
41311366

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)-5-chloro-benzofuran-2-carboxamide N-(5-benzyl-4-methyl-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)	5.52	11.11	-11.78	1	4	0	55	382.872	4	↓ MOL2 SDF SMILES Flexibase

36639780

Analogs

39897573
39897590
41308679
41311366
41311369

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[4-methyl-5-[[3-(trif…

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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)	6.39	12.13	-12.98	1	4	0	55	450.869	5	↓ MOL2 SDF SMILES Flexibase

36639781

Analogs

9668225

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[4-methyl-5-[(3-nitro…

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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)	5.46	11.83	-17.1	1	7	0	101	427.869	5	↓ MOL2 SDF SMILES Flexibase

36639782

Analogs

41308679
41311366
41311369
9668225
4539405

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[4-methyl-5-[(4-nitro…

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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)	5.48	11.83	-17.64	1	7	0	101	427.869	5	↓ MOL2 SDF SMILES Flexibase

36639783

Analogs

39897569
41308679
41311366
41311369
2708302

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(4-fluorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(4-fluorophenyl)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)	5.69	11.17	-13.26	1	4	0	55	400.862	4	↓ MOL2 SDF SMILES Flexibase

36639784

Analogs

39897587
41308679
41311366
41311369
3419990

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(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)	5.58	10.4	-13.69	1	5	0	64	412.898	5	↓ MOL2 SDF SMILES Flexibase

36639785

Analogs

39897568
41311366

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(4-chlorophenyl)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)	6.20	11.63	-12.48	1	4	0	55	417.317	4	↓ MOL2 SDF SMILES Flexibase

36639786

Analogs

39897571
41308679
41311366
41311369
1052572

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(3-chlorophenyl)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)	6.18	11.62	-12.18	1	4	0	55	417.317	4	↓ MOL2 SDF SMILES Flexibase

36639787

Analogs

39897567
39897570
1052572
9489436

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(2-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(2-chlorophenyl)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)	6.15	11.49	-11.68	1	4	0	55	417.317	4	↓ MOL2 SDF SMILES Flexibase

36639788

Analogs

39897571
41308679
41311366
41311369
1052572

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(3,4-dichlorophen…

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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)	6.81	12.07	-13.28	1	4	0	55	451.762	4	↓ MOL2 SDF SMILES Flexibase

36639789

Analogs

39897567
39897570
1052572

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carboxamide 5-chloro-N-[5-[(2,5-dichlorophen…

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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)	6.81	12	-11.26	1	4	0	55	451.762	4	↓ MOL2 SDF SMILES Flexibase

36639790

Analogs

41308679
41311366
41311369
3419990
28250214

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-chloro-benzofuran-2-carboxamide N-[5-[(3-bromophenyl)methyl]-4-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)	6.31	11.73	-12.08	1	4	0	55	461.768	4	↓ MOL2 SDF SMILES Flexibase

36639791

Analogs

41308679
41311366
41311369
28250214
3419990

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-chloro-benzofuran-2-carboxamide N-[5-[(4-bromophenyl)methyl]-4-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)	6.33	11.74	-12.47	1	4	0	55	461.768	4	↓ MOL2 SDF SMILES Flexibase

36639792

Analogs

39846859
39897591
39897710
41311366
1052577

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-thiazol-2-yl]benzofuran-2-carbox 5-chloro-N-[5-[[2-chloro-5-(trif…

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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)	7.02	12.42	-11.91	1	4	0	55	485.314	5	↓ MOL2 SDF SMILES Flexibase

36639793

Analogs

39846731
39846743
39846803
39846820
39846896

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]-5-chloro-benzofuran-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)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)	6.72	11.68	-13.47	1	4	0	55	482.186	4	↓ MOL2 SDF SMILES Flexibase

36639794

Analogs

41308679
41311366
41311369
1052572
3419990

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]-4-methyl-thiazol-2-yl]-5-chloro-benzofuran-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)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)	6.94	12.18	-13.23	1	4	0	55	496.213	4	↓ MOL2 SDF SMILES Flexibase

36639942

Analogs

36639759
9668222
9910720

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 3-methyl-N-[5-[(4-sulfamoylpheny…

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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)	3.72	5.75	-20.09	3	7	0	115	427.507	5	↓ MOL2 SDF SMILES Flexibase

36639943

Analogs

36639759
8852502
27740549

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 3-methyl-N-[4-methyl-5-[(4-sulfa…

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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)	3.94	6.26	-20.37	3	7	0	115	441.534	5	↓ MOL2 SDF SMILES Flexibase

36639944

Analogs

8852502
9668222

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)-3-methyl-benzofuran-2-carboxamide N-(5-benzyl-4-methyl-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)	5.25	11.29	-12.76	1	4	0	55	362.454	4	↓ MOL2 SDF SMILES Flexibase

36639945

Analogs

12080515
1052577

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]benzofuran-2-carboxamide 3-methyl-N-[4-methyl-5-[[3-(trif…

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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)	6.12	12.31	-14.1	1	4	0	55	430.451	5	↓ MOL2 SDF SMILES Flexibase

36639946

Analogs

4834451

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 3-methyl-N-[4-methyl-5-[(3-nitro…

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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)	5.18	12	-18.19	1	7	0	101	407.451	5	↓ MOL2 SDF SMILES Flexibase

36639947

Analogs

4834451
8852502

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]benzofuran-2-carboxamide 3-methyl-N-[4-methyl-5-[(4-nitro…

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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)	5.20	12	-18.42	1	7	0	101	407.451	5	↓ MOL2 SDF SMILES Flexibase

36639948

Analogs

8275393
9364821
7781450

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-fluorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(4-fluorophenyl)methyl]-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)	5.41	11.35	-14.22	1	4	0	55	380.444	4	↓ MOL2 SDF SMILES Flexibase

36639949

Analogs

3385966
8852502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(4-methoxyphenyl)methyl]-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)	5.30	10.58	-14.64	1	5	0	64	392.48	5	↓ MOL2 SDF SMILES Flexibase

36639950

Analogs

40179612
8852502
27740549
9668222

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(4-chlorophenyl)methyl]-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)	5.92	11.81	-13.49	1	4	0	55	396.899	4	↓ MOL2 SDF SMILES Flexibase

36639951

Analogs

40179612
8852502
27740549

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(3-chlorophenyl)methyl]-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)	5.90	11.8	-13.2	1	4	0	55	396.899	4	↓ MOL2 SDF SMILES Flexibase

36639952

Analogs

40179613
8852502
27740549
9668222

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(2-chlorophenyl)methyl]-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)	5.88	11.66	-12.91	1	4	0	55	396.899	4	↓ MOL2 SDF SMILES Flexibase

36639953

Analogs

8852502
27740549

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(3,4-dichlorophenyl)methyl…

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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)	6.53	12.25	-14.26	1	4	0	55	431.344	4	↓ MOL2 SDF SMILES Flexibase

36639954

Analogs

40179613
1052572
8852502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(2,5-dichlorophenyl)methyl…

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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)	6.53	12.17	-12.33	1	4	0	55	431.344	4	↓ MOL2 SDF SMILES Flexibase

36639955

Analogs

3385966
8852502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-3-methyl-benzofuran-2-carboxamide N-[5-[(3-bromophenyl)methyl]-4-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)	6.03	11.9	-13.21	1	4	0	55	441.35	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 105160
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 = 105160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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', {
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