UCSF

ZINC67071524

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: (E)-3-(4-acetamidophenyl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide (E)-3-(4-acetamidophenyl)-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) 0.74 6.8 -18.76 3 7 0 92 359.455 6 ↓
Mid Mid (pH 6-8) 1.47 6.6 -50.41 2 7 -1 89 358.447 6 ↓

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

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