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ZINC Item

Suppliers, Protomers, & Similar Substances

39763724

Analogs

20882672
20882670
8645490

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide (2S)-2-[[5-(3,4-dimethoxyphenyl)…

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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	11.02	-19.11	1	7	0	78	440.569	9	↓ MOL2 SDF SMILES Flexibase

39763726

Analogs

20882672
20882670
8645490

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide (2R)-2-[[5-(3,4-dimethoxyphenyl)…

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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	11.03	-17.85	1	7	0	78	440.569	9	↓ MOL2 SDF SMILES Flexibase

39763789

Analogs

16285977
8651075
1123038

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-methyl-phenyl)-2-[[4-(3-methoxypropyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]a N-(4-fluoro-3-methyl-phenyl)-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)	4.03	11.42	-20.36	1	9	0	115	459.503	10	↓ MOL2 SDF SMILES Flexibase

39763805

Analogs

649504
649505

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide (2R)-2-[[5-(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	11.93	-13.57	1	5	0	60	380.517	5	↓ MOL2 SDF SMILES Flexibase

39763806

Analogs

649504
649505

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(3,4-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide (2S)-2-[[5-(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	11.92	-13.68	1	5	0	60	380.517	5	↓ MOL2 SDF SMILES Flexibase

39763815

Analogs

3495634
2453859
13941867

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(3-isopropoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfa N-(3-chloro-4-methyl-phenyl)-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)	5.38	11.96	-15.94	1	7	0	78	489.041	11	↓ MOL2 SDF SMILES Flexibase

39763844

Analogs

869915
869892
869910

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-3-methyl-phenyl)acetamide 2-[[5-(4-chlorophenyl)-4-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)	4.51	10.61	-13.68	1	5	0	60	390.871	5	↓ MOL2 SDF SMILES Flexibase

39763873

Analogs

1113890

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide 2-[[4-allyl-5-(3,4-dimethylpheny…

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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)	6.05	13.11	-10.83	1	5	0	60	447.391	7	↓ MOL2 SDF SMILES Flexibase

39763875

Analogs

2859398
9720779

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ace N-(4-bromo-2-fluoro-phenyl)-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)	4.12	10.69	-15.27	1	9	0	115	510.345	9	↓ MOL2 SDF SMILES Flexibase

39763885

Analogs

2859398
9720779

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4-fluoro-phenyl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2-bromo-4-fluoro-phenyl)-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)	4.51	11.7	-17.07	1	8	0	106	480.319	7	↓ MOL2 SDF SMILES Flexibase

6878249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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	2.58	-16.76	0	7	0	77	503.422	10	↓ MOL2 SDF SMILES Flexibase

6878327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5-dimethoxy-benzoic 2-[2-[[4-ethyl-5-(4-hydroxypheny…

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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)	2.86	-1.34	-55.27	2	10	-1	138	457.488	9	↓ MOL2 SDF SMILES Flexibase

6878329

Analogs

676570

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(5-chloro-2-methyl-phenyl)-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)	5.41	0.59	-12.95	1	5	0	59	421.353	6	↓ MOL2 SDF SMILES Flexibase

6878332

Analogs

26371301

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide 2-[[4-ethyl-5-(2-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)	4.02	1.55	-22.39	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

6878334

Analogs

19854455

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ace N-[2-chloro-5-(trifluoromethyl)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)	5.13	3.04	-14.06	1	8	0	105	485.875	8	↓ MOL2 SDF SMILES Flexibase

6878342

Analogs

39759594

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chloro-4-methyl-phenyl)-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)	5.41	0.34	-13.51	1	5	0	59	421.353	6	↓ MOL2 SDF SMILES Flexibase

6878344

Analogs

39752792
39753266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide 2-[[5-(2-bromophenyl)-4-ethyl-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)	4.77	0.32	-16.09	1	8	0	105	476.356	7	↓ MOL2 SDF SMILES Flexibase

6878346

Analogs

39761321
39761969

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-nitro-phenyl)-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-chloro-3-nitro-phenyl)-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)	4.20	1.19	-22.3	1	11	0	151	462.875	8	↓ MOL2 SDF SMILES Flexibase

6878360

Analogs

39742006
39742386
39751297
39751299
39751523

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide 2-{[5-(2-bromophenyl)-4-ethyl-4H…

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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	0.38	-14.65	1	5	0	59	435.322	6	↓ MOL2 SDF SMILES Flexibase

6878379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide 2-[[5-(2-bromophenyl)-4-ethyl-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)	4.39	0.17	-17.89	1	8	0	105	462.329	7	↓ MOL2 SDF SMILES Flexibase

6878381

Analogs

39766432

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methyl-phenyl)-acetamide 2-[[4-ethyl-5-(4-hydroxyphenyl)-…

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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)	4.65	9.32	-14	2	6	0	80	494.358	6	↓ MOL2 SDF SMILES Flexibase

6878386

Analogs

19854354
19854355
39743038
39748205
39748404

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-5-{4-nitrophenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-nitro-2-methylphenyl}acetamide 2-[(4-ethyl-5-{4-nitrophenyl}-4H…

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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)	3.97	1.94	-17.97	1	11	0	151	442.457	8	↓ MOL2 SDF SMILES Flexibase

6878387

Analogs

39751670
39758402

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-nitro-2-methylphenyl}acetamide 2-{[5-(2-bromophenyl)-4-ethyl-4H…

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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)	4.77	0.74	-17.14	1	8	0	105	476.356	7	↓ MOL2 SDF SMILES Flexibase

6878388

Analogs

39757994

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide 2-[[4-ethyl-5-(2-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)	4.02	1.55	-18.6	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

6878389

Analogs

36802998
39753716
39967862

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,4-dichlorophenyl)-2-[[4-eth…

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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)	4.96	0.32	-13.35	1	6	0	69	437.352	7	↓ MOL2 SDF SMILES Flexibase

6878391

Analogs

39968258

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)-acetamide 2-[[5-(4-chlorophenyl)-4-ethyl-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)	4.39	0.32	-12.96	1	7	0	78	432.933	8	↓ MOL2 SDF SMILES Flexibase

6878394

Analogs

39742763
39750458
39751563
39757223
39758813

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-{4-nitrophenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(2,4-dimethoxyphenyl)-2-[(4-et…

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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)	3.67	0.99	-15.21	1	10	0	124	443.485	9	↓ MOL2 SDF SMILES Flexibase

6878397

Analogs

39759040
39760875
39766063

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-5-{4-nitrophenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-nitro-2-methoxyphenyl}acetamide 2-[(4-ethyl-5-{4-nitrophenyl}-4H…

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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)	3.58	1.49	-16.41	1	12	0	160	458.456	9	↓ MOL2 SDF SMILES Flexibase

6878398

Analogs

39762790

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[5-(2-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-nitro-2-methoxyphenyl}acetamide 2-{[5-(2-bromophenyl)-4-ethyl-4H…

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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	0.31	-15.69	1	9	0	114	492.355	8	↓ MOL2 SDF SMILES Flexibase

6878400

Analogs

9072461
39760006

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide 2-[[5-(4-chlorophenyl)-4-ethyl-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)	4.29	1.09	-13.77	1	9	0	114	447.904	8	↓ MOL2 SDF SMILES Flexibase

6878401

Analogs

39754685
6286645

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide 2-[[4-ethyl-5-(4-nitrophenyl)-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)	3.58	1.76	-16.12	1	12	0	160	458.456	9	↓ MOL2 SDF SMILES Flexibase

6878402

Analogs

9058305

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide 2-[[5-(2-bromophenyl)-4-ethyl-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)	4.38	11.11	-15.67	1	9	0	115	492.355	8	↓ MOL2 SDF SMILES Flexibase

6878417

Analogs

39752425
39759956
39762449

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 3-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate ethyl 3-[({[4-ethyl-5-(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)	4.25	1.45	-20.11	1	8	0	95	440.525	10	↓ MOL2 SDF SMILES Flexibase

6878421

Analogs

39749463
39765721

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]-acetamide 2-[[5-(4-chlorophenyl)-4-ethyl-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)	5.22	2.35	-11.85	1	5	0	59	440.878	7	↓ MOL2 SDF SMILES Flexibase

6878428

Analogs

9070996
9072482
39762876

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)-acetamide 2-[[5-(4-chlorophenyl)-4-ethyl-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)	4.29	0.7	-19.74	1	8	0	105	417.878	7	↓ MOL2 SDF SMILES Flexibase

6878432

Analogs

39763127

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chloro-2-methyl-phenyl)-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)	5.38	0.58	-11.32	1	5	0	59	421.353	6	↓ MOL2 SDF SMILES Flexibase

6878433

Analogs

19851218
39748266

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methylphenyl)-2-[(4-ethyl-5-{4-nitrophenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3-chloro-2-methylphenyl)-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)	4.66	1.25	-13.71	1	8	0	105	431.905	7	↓ MOL2 SDF SMILES Flexibase

6878434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,3-dichlorophenyl)-2-[[4-eth…

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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)	4.94	0.34	-14.17	1	6	0	69	437.352	7	↓ MOL2 SDF SMILES Flexibase

6878441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-[({[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate methyl 2-[({[4-ethyl-5-(2-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)	3.98	1.96	-16.96	1	8	0	95	426.498	9	↓ MOL2 SDF SMILES Flexibase

6878445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide 2-[[5-(4-chlorophenyl)-4-ethyl-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)	5.20	2.6	-11.37	1	5	0	59	440.878	7	↓ MOL2 SDF SMILES Flexibase

6878455

Analogs

39753160

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-nitrophenyl}acetamide 2-{[5-(4-chlorophenyl)-4-ethyl-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)	4.26	1.09	-14.31	1	8	0	105	417.878	7	↓ MOL2 SDF SMILES Flexibase

6878456

Analogs

7043939
39755355
4463474
4594911
4594912

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-5-{4-nitrophenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{2-nitrophenyl}acetamide 2-[(4-ethyl-5-{4-nitrophenyl}-4H…

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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)	3.54	1.75	-16.48	1	11	0	151	428.43	8	↓ MOL2 SDF SMILES Flexibase

6878457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)-acetamide 2-[[5-(2-bromophenyl)-4-ethyl-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)	4.34	0.56	-16.25	1	8	0	105	462.329	7	↓ MOL2 SDF SMILES Flexibase

6878529

Analogs

39742940
39742942
39757400
39757401
39759189

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-propanamide 2-[[4-ethyl-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)	4.05	1.16	-16.47	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

6878530

Analogs

39757319
39757320

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-propanamide 2-[[4-ethyl-5-(2-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)	4.00	1.25	-18.74	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

6878547

Analogs

39742940
39742942
39757400
39757401
39759189

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-propanamide 2-[[4-ethyl-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)	4.05	1.14	-16.4	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

6878548

Analogs

39757319
39757320

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-propanamide 2-[[4-ethyl-5-(2-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)	4.00	1.26	-18.71	1	9	0	114	427.486	8	↓ MOL2 SDF SMILES Flexibase

11807319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethylsulfanyl)phenyl] 2-[[4-amino-5-(2,5-dichloropheny…

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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)	4.91	-2.88	-12.41	3	6	0	86	476.361	7	↓ MOL2 SDF SMILES Flexibase

11807959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-N-isobutyl-ben 2-[2-[[4-amino-5-[4-(difluoromet…

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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	-2.64	-18.5	4	9	0	124	490.536	10	↓ MOL2 SDF SMILES Flexibase

11807972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethylsulfanyl) 2-[[4-amino-5-[4-(difluoromethox…

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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)	4.24	-1.09	-16.23	3	7	0	95	473.477	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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