UCSF

ZINC22357544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 31 Yes

Popular Name: (3-allyl-4,5-dimethoxy-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone (3-allyl-4,5-dimethoxy-phenyl)-[…

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) 3.09 9.09 -12.14 0 6 0 55 435.446 7 ↓

Activity (Go SEA)

Rings

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

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