UCSF

ZINC60322873

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 32 Yes

Popular Name: 4-[butyl(methyl)amino]-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]benzamide 4-[butyl(methyl)amino]-N-[2-meth…

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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) 3.21 10.55 -51.89 2 7 1 66 439.58 8 ↓
Mid Mid (pH 6-8) 3.21 8.19 -18.58 1 7 0 65 438.572 8 ↓

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

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