UCSF

ZINC00924469

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 Yes

Popular Name: 3-[[2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic-acid-methyl-es 3-[[2-[[4-(4-fluorophenyl)-5-(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) 3.59 11.63 -14.43 1 8 0 99 463.494 8 ↓

Activity (Go SEA)

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