UCSF

ZINC58341002

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 Yes

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

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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) 2.23 8.81 -41.09 2 5 1 50 345.854 4 ↓
Hi High (pH 8-9.5) 2.23 6.46 -10.48 1 5 0 48 344.846 4 ↓
Mid Mid (pH 6-8) 2.23 6.94 -42.47 2 5 1 50 345.854 4 ↓
Mid Mid (pH 6-8) 2.23 9.28 -102.78 3 5 2 51 346.862 4 ↓

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Rings

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