UCSF

ZINC34831862

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 Yes

Popular Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenyl-ace 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) 3.22 14.85 -37.06 1 7 1 55 476.645 10 ↓
Mid Mid (pH 6-8) 3.22 12.62 -11.14 0 7 0 54 475.637 10 ↓
Lo Low (pH 4.5-6) 3.22 14.97 -80.45 2 7 2 56 477.653 10 ↓

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