UCSF

ZINC58314598

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Substance Information

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

Popular Name: 2-methoxy-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 2-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) 2.13 8.86 -41.04 2 6 1 59 341.435 5 ↓
Hi High (pH 8-9.5) 2.13 6.51 -12.83 1 6 0 58 340.427 5 ↓
Mid Mid (pH 6-8) 2.13 9.33 -100.35 3 6 2 60 342.443 5 ↓
Mid Mid (pH 6-8) 2.13 6.99 -42.11 2 6 1 59 341.435 5 ↓

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Rings

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