UCSF

ZINC34831228

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 Yes

Popular Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isopropyl-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) 3.91 15.58 -36.75 1 6 1 46 460.646 8 ↓
Mid Mid (pH 6-8) 3.91 13.32 -10.5 0 6 0 45 459.638 8 ↓
Lo Low (pH 4.5-6) 3.91 15.69 -78.31 2 6 2 47 461.654 8 ↓

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