UCSF

ZINC69699671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: N-[[4-isopropoxy-2-(trifluoromethyl)phenyl]methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[[4-isopropoxy-2-(trifluoromet…

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) 1.35 2.98 -10.21 3 7 0 100 344.293 6 ↓
Hi High (pH 8-9.5) 1.81 1.47 -44.32 2 7 -1 103 343.285 6 ↓

Activity (Go SEA)

Rings

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

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