UCSF

ZINC60021914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 Yes

Popular Name: 2-[butanoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzamide 2-[butanoyl-[2-(4-phenylpiperazi…

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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) 2.52 7.79 -14.83 2 6 0 70 394.519 8 ↓
Mid Mid (pH 6-8) 2.52 10.01 -36.85 3 6 1 71 395.527 8 ↓

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Rings

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

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