UCSF

ZINC65587049

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 Yes

Popular Name: [3-[[benzyl(methyl)amino]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone [3-[[benzyl(methyl)amino]methyl]…

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) 1.97 11.77 -91.63 2 4 2 29 339.483 5 ↓
Hi High (pH 8-9.5) 1.97 7.09 -9.39 0 4 0 27 337.467 5 ↓
Mid Mid (pH 6-8) 1.97 9.43 -45.16 1 4 1 28 338.475 5 ↓
Mid Mid (pH 6-8) 1.97 9.42 -44.17 1 4 1 28 338.475 5 ↓

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Rings

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

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