UCSF

ZINC65531257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-(1H-triazol-4-yl)methanone [4-[(5-chloro-2-thienyl)methyl]p…

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) 1.45 3.04 -8.06 1 6 0 65 311.798 3 ↓
Mid Mid (pH 6-8) 1.45 3.02 -34.93 0 6 -1 63 310.79 3 ↓
Lo Low (pH 4.5-6) 1.45 5.27 -47.9 2 6 1 66 312.806 3 ↓

Activity (Go SEA)

Rings

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

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