UCSF

ZINC34832117

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 Yes

Popular Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isopentyl-2-phenyl-acetamide N-[[5-(4-ethylpiperazin-1-yl)-3-…

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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) 4.89 17.39 -36.73 1 6 1 46 488.7 10 ↓
Mid Mid (pH 6-8) 4.89 15.17 -9.8 0 6 0 45 487.692 10 ↓
Lo Low (pH 4.5-6) 4.89 17.54 -80.62 2 6 2 47 489.708 10 ↓

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