UCSF

ZINC67954561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

Popular Name: methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-oxo-BLAHcarboxamide methyl-N-[[2-(4-methylpiperazin-…

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) 0.09 7.17 -41.79 2 8 1 79 398.487 4 ↓
Hi High (pH 8-9.5) 0.09 4.82 -19.24 1 8 0 78 397.479 4 ↓
Mid Mid (pH 6-8) 0.09 7.64 -97.8 3 8 2 80 399.495 4 ↓
Mid Mid (pH 6-8) 0.09 5.29 -44.78 2 8 1 79 398.487 4 ↓

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

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