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748260

Analogs

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Popular Name: N-[(1R)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide N-[(1R)-1-[5-[(2-methylbenzyl)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)	4.86	15.09	-11.43	1	8	0	106	473.558	8	↓ MOL2 SDF SMILES Flexibase

748261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide N-[(1S)-1-[5-[(2-methylbenzyl)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)	4.86	15.11	-12.11	1	8	0	106	473.558	8	↓ MOL2 SDF SMILES Flexibase

748262

Analogs

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Popular Name: 4-methoxy-N-[(1R)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 4-methoxy-N-[(1R)-1-[5-[(2-methy…

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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	1.53	-12.74	1	9	0	114	503.584	9	↓ MOL2 SDF SMILES Flexibase

748263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 4-methoxy-N-[(1S)-1-[5-[(2-methy…

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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	14.42	-12.58	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 3-methoxy-N-[(1R)-1-[5-[(2-methy…

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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	14.45	-14.97	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 3-methoxy-N-[(1S)-1-[5-[(2-methy…

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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	14.44	-14.86	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748294

Analogs

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Popular Name: N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide N-[(1S)-1-[5-(m-anisylthio)-4-(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)	4.49	13.86	-12.78	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide N-[(1R)-1-[5-(m-anisylthio)-4-(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)	4.49	13.86	-13.49	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 4-fluoro-N-[(1S)-1-[5-(m-anisylt…

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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	13.93	-12.34	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 4-fluoro-N-[(1R)-1-[5-(m-anisylt…

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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	13.93	-13	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide N-[(1S)-1-[5-(m-anisylthio)-4-(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)	4.55	13.17	-14.78	1	10	0	124	519.583	10	↓ MOL2 SDF SMILES Flexibase

748299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide N-[(1R)-1-[5-(m-anisylthio)-4-(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)	4.55	13.14	-14.13	1	10	0	124	519.583	10	↓ MOL2 SDF SMILES Flexibase

748306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide N-[(1S)-1-[5-(m-anisylthio)-4-(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)	4.94	14.54	-12.61	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide N-[(1R)-1-[5-(m-anisylthio)-4-(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)	4.94	14.54	-13.37	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide N-[(1S)-1-[5-(m-anisylthio)-4-(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)	4.89	14.53	-12.15	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide N-[(1R)-1-[5-(m-anisylthio)-4-(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)	4.89	14.53	-12.86	1	9	0	115	503.584	9	↓ MOL2 SDF SMILES Flexibase

748322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[(1S)-1-[5-(m-anisylt…

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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)	4.61	13.94	-15.74	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[(1R)-1-[5-(m-anisylt…

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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)	4.61	13.94	-16.55	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 3-fluoro-N-[(1S)-1-[5-(m-anisylt…

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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	13.93	-13.86	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide 3-fluoro-N-[(1R)-1-[5-(m-anisylt…

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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	13.93	-14.58	1	9	0	115	507.547	9	↓ MOL2 SDF SMILES Flexibase

748404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide N-[[5-[(2-methylbenzyl)thio]-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)	4.30	14.38	-14.24	1	8	0	106	459.531	8	↓ MOL2 SDF SMILES Flexibase

748409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 4-methyl-N-[[5-[(2-methylbenzyl)…

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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	15.04	-14.18	1	8	0	106	473.558	8	↓ MOL2 SDF SMILES Flexibase

748415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-methyl-N-[[5-[(2-methylbenzyl)…

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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	15.07	-13.5	1	8	0	106	473.558	8	↓ MOL2 SDF SMILES Flexibase

748418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-fluoro-N-[[5-[(2-methylbenzyl)…

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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	14.52	-18.07	1	8	0	106	477.521	8	↓ MOL2 SDF SMILES Flexibase

748420

Analogs

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Popular Name: 3-fluoro-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 3-fluoro-N-[[5-[(2-methylbenzyl)…

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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)	4.44	14.45	-16.1	1	8	0	106	477.521	8	↓ MOL2 SDF SMILES Flexibase

748425

Analogs

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Popular Name: 3-methoxy-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 3-methoxy-N-[[5-[(2-methylbenzyl…

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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	13.7	-16.83	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748430

Analogs

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Popular Name: 2-methoxy-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-methoxy-N-[[5-[(2-methylbenzyl…

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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)	4.86	14.96	-16.98	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748433

Analogs

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Popular Name: 2,6-dimethoxy-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2,6-dimethoxy-N-[[5-[(2-methylbe…

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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)	4.32	12.98	-17.58	1	10	0	124	519.583	10	↓ MOL2 SDF SMILES Flexibase

748441

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide N-[[5-(m-anisylthio)-4-(4-nitrop…

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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	13.09	-15.44	1	9	0	115	475.53	9	↓ MOL2 SDF SMILES Flexibase

748442

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide N-[[5-(m-anisylthio)-4-(4-nitrop…

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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)	3.99	12.42	-16.49	1	10	0	124	505.556	10	↓ MOL2 SDF SMILES Flexibase

748443

Analogs

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Popular Name: 2-chloro-N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-chloro-N-[[5-(m-anisylthio)-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)	4.57	13.61	-16.89	1	9	0	115	509.975	9	↓ MOL2 SDF SMILES Flexibase

748444

Analogs

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Popular Name: 4-chloro-N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 4-chloro-N-[[5-(m-anisylthio)-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)	4.61	13.62	-14.86	1	9	0	115	509.975	9	↓ MOL2 SDF SMILES Flexibase

748446

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide N-[[5-(m-anisylthio)-4-(4-nitrop…

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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	13.76	-15.34	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748452

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzamide N-[[5-(m-anisylthio)-4-(4-nitrop…

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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	13.78	-14.78	1	9	0	115	489.557	9	↓ MOL2 SDF SMILES Flexibase

748458

Analogs

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Popular Name: 2-fluoro-N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-fluoro-N-[[5-(m-anisylthio)-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)	4.05	13.17	-19.09	1	9	0	115	493.52	9	↓ MOL2 SDF SMILES Flexibase

748474

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-b N-[[4-(5-chloro-2-methyl-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)	5.86	13.9	-13.94	1	7	0	78	523.058	9	↓ MOL2 SDF SMILES Flexibase

748482

Analogs

35709333

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]benzamide N-[[4-(5-chloro-2-methyl-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)	5.45	13.96	-14.66	1	6	0	69	479.005	8	↓ MOL2 SDF SMILES Flexibase

748483

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide N-[[4-(5-chloro-2-methyl-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	14.03	-13.98	1	6	0	69	496.995	8	↓ MOL2 SDF SMILES Flexibase

748484

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide N-[[4-(5-chloro-2-methyl-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)	5.51	13.28	-15.46	1	7	0	78	509.031	9	↓ MOL2 SDF SMILES Flexibase

748498

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide N-[[4-(5-chloro-2-methyl-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)	5.59	14.04	-16.27	1	6	0	69	496.995	8	↓ MOL2 SDF SMILES Flexibase

748503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide N-[[4-(5-chloro-2-methyl-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)	5.49	13.28	-17.07	1	7	0	78	509.031	9	↓ MOL2 SDF SMILES Flexibase

748508

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide N-[[4-(5-chloro-2-methyl-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)	6.01	14.54	-17.56	1	7	0	78	509.031	9	↓ MOL2 SDF SMILES Flexibase

748522

Analogs

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Popular Name: 2-methyl-N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-methyl-N-[[5-[(2-methylbenzyl)…

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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)	5.19	1.01	-10.79	1	5	0	59	442.588	7	↓ MOL2 SDF SMILES Flexibase

748533

Analogs

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Popular Name: 2-methoxy-N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-methoxy-N-[[5-[(2-methylbenzyl…

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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)	5.35	14.92	-14.6	1	6	0	69	458.587	8	↓ MOL2 SDF SMILES Flexibase

748535

Analogs

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Popular Name: 2,6-dimethoxy-N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide 2,6-dimethoxy-N-[[5-[(2-methylbe…

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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)	4.81	12.97	-17.18	1	7	0	78	488.613	9	↓ MOL2 SDF SMILES Flexibase

748541

Analogs

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Popular Name: 2-chloro-N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide 2-chloro-N-[[5-(m-anisylthio)-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)	5.06	13.6	-14.61	1	6	0	69	479.005	8	↓ MOL2 SDF SMILES Flexibase

748557

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2,4-dimethoxy-benzamide N-[[5-(m-anisylthio)-4-(p-tolyl)…

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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	13	-16.85	1	8	0	88	504.612	10	↓ MOL2 SDF SMILES Flexibase

748566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide N-[[5-(m-anisylthio)-4-(p-tolyl)…

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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)	4.98	13.66	-16.43	1	7	0	78	474.586	9	↓ MOL2 SDF SMILES Flexibase

748568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2,6-dimethoxy-benzamide N-[[5-(m-anisylthio)-4-(p-tolyl)…

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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)	4.44	11.68	-18.42	1	8	0	88	504.612	10	↓ MOL2 SDF SMILES Flexibase

33446226

Analogs

35706518

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Popular Name: N-[[4-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-fluoro-be N-[[4-(2,5-dichlorophenyl)-5-[(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)	5.98	14.53	-10.84	1	5	0	60	505.377	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 799 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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