UCSF

ZINC04394846

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 26 Yes

Popular Name: 2-[(5-hydroxy-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-[4-(trifluoromethyl)piperidino]ethan-1-one 2-[(5-hydroxy-4-phenyl-4H-1,2,4-…

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) 2.80 7.8 -52.76 0 6 -1 74 385.391 5 ↓
Mid Mid (pH 6-8) 2.35 8.64 -16.44 1 6 0 71 386.399 5 ↓

Activity (Go SEA)

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

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