UCSF

ZINC58304878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 Yes

Popular Name: 4-cyano-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 4-cyano-N-[[2-(4-methylpiperazin…

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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) 1.33 8.69 -43.81 2 6 1 73 336.419 4 ↓
Hi High (pH 8-9.5) 1.33 6.34 -11.58 1 6 0 72 335.411 4 ↓
Mid Mid (pH 6-8) 1.33 6.82 -44.45 2 6 1 74 336.419 4 ↓
Mid Mid (pH 6-8) 1.33 9.17 -106.55 3 6 2 75 337.427 4 ↓

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

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