UCSF

ZINC52467135

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 24 Yes

Popular Name: [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone [4-(2,6-dimethylpyrimidin-4-yl)p…

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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) 1.76 9.41 -39.72 1 5 1 51 329.399 2 ↓
Mid Mid (pH 6-8) 1.76 9.01 -14.06 0 5 0 49 328.391 2 ↓

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