UCSF

ZINC58177898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 27 Yes

Popular Name: 1-[[4-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]piperidin 1-[[4-(4-fluorophenyl)-5-[(1-met…

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) 2.39 13.32 -44 1 6 1 53 387.508 6 ↓
Hi High (pH 8-9.5) 2.39 11.03 -10.96 0 6 0 52 386.5 6 ↓
Mid Mid (pH 6-8) 2.39 13.8 -80.33 2 6 2 54 388.516 6 ↓

Activity (Go SEA)

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