UCSF

ZINC56792404

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 28 Yes

Popular Name: 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]methyl]quinoline-4-carboxamide 2-methyl-N-[[2-(4-methylpiperazi…

Find On: PubMed — Wikipedia — Google

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) 2.25 9.27 -47.98 2 6 1 63 376.484 4 ↓
Hi High (pH 8-9.5) 2.25 6.91 -11.49 1 6 0 61 375.476 4 ↓
Mid Mid (pH 6-8) 2.25 7.26 -42.54 2 6 1 63 376.484 4 ↓
Lo Low (pH 4.5-6) 2.25 9.62 -107.45 3 6 2 64 377.492 4 ↓

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Rings

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