UCSF

ZINC69780541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 No

Popular Name: (E)-3-(4-acetamidophenyl)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide (E)-3-(4-acetamidophenyl)-N-[(4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 0.38 6.57 -19.95 3 7 0 92 345.428 6 ↓
Mid Mid (pH 6-8) 1.10 6.34 -51.72 2 7 -1 89 344.42 6 ↓

Activity (Go SEA)

Rings

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

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