UCSF

ZINC66640149

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 No

Popular Name: 2-(4-cyanophenyl)sulfanyl-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(4-cyanophenyl)sulfanyl-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 8.24 -18.2 2 6 0 87 347.469 6 ↓
Mid Mid (pH 6-8) 1.71 8.05 -45.46 1 6 -1 84 346.461 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.