UCSF

ZINC20130755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 Yes

Popular Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-2-(1-oxo-2-isoquinolyl)acetamide N-[3-[4-(1,3-benzodioxol-5-ylmet…

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) 1.37 7.31 -32.22 1 9 0 93 476.533 7 ↓
Mid Mid (pH 6-8) 1.37 9.53 -76.22 2 9 1 94 477.541 7 ↓
Mid Mid (pH 6-8) 1.55 6.97 -65.98 2 9 1 98 477.541 7 ↓

Activity (Go SEA)

Rings

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

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