UCSF

ZINC25947743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 34 Yes

Popular Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin 2-[[4-(2-ethylphenyl)-1,2,4-tria…

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) 4.24 13.88 -12.63 0 6 0 54 489.567 8 ↓
Mid Mid (pH 6-8) 4.24 16.17 -55.79 1 6 1 55 490.575 8 ↓

Activity (Go SEA)

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