UCSF

ZINC67540167

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 2,4,6-trimethyl-N-[[2-(4-methylp…

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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) 2.78 9.98 -40.94 2 5 1 50 353.49 4 ↓
Hi High (pH 8-9.5) 2.78 7.62 -9.2 1 5 0 48 352.482 4 ↓
Mid Mid (pH 6-8) 2.78 8.01 -37.45 2 5 1 50 353.49 4 ↓
Mid Mid (pH 6-8) 2.78 10.38 -98.52 3 5 2 51 354.498 4 ↓

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Rings

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

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