UCSF

ZINC67514357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 5-chloro-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 5-chloro-2-methyl-N-[[2-(4-methy…

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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) 2.63 9.48 -36.67 2 5 1 50 359.881 4 ↓
Hi High (pH 8-9.5) 2.63 7.1 -7.43 1 5 0 48 358.873 4 ↓
Mid Mid (pH 6-8) 2.63 9.99 -96.03 3 5 2 51 360.889 4 ↓
Mid Mid (pH 6-8) 2.63 7.62 -36.78 2 5 1 50 359.881 4 ↓

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Rings

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

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