UCSF

ZINC62285918

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 26 Yes

Popular Name: 3-(4-fluoro-3-methyl-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1H-pyrazole-5-carboxamide 3-(4-fluoro-3-methyl-phenyl)-N-[…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.21 5.7 -48.42 3 7 1 83 360.413 4 ↓
Mid Mid (pH 6-8) 1.21 3.34 -11.35 2 7 0 81 359.405 4 ↓

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

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