UCSF

ZINC34834620

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.51 16.99 -55.09 1 6 1 46 474.673 9 ↓
Mid Mid (pH 6-8) 4.51 14.9 -10.23 0 6 0 45 473.665 9 ↓
Lo Low (pH 4.5-6) 4.51 17.08 -95.59 2 6 2 47 475.681 9 ↓

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