UCSF

ZINC58343454

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 Yes

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

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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) 1.63 7.6 -39.58 2 6 1 59 341.435 5 ↓
Hi High (pH 8-9.5) 1.63 5.25 -10.09 1 6 0 58 340.427 5 ↓
Mid Mid (pH 6-8) 1.63 5.73 -40.5 2 6 1 59 341.435 5 ↓
Mid Mid (pH 6-8) 1.63 8.08 -99.76 3 6 2 60 342.443 5 ↓

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Rings

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