UCSF

ZINC42091352

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 28 Yes

Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.51 6.85 -20.39 2 6 0 88 388.349 5 ↓
Hi High (pH 8-9.5) 2.97 5 -60.46 1 6 -1 91 387.341 5 ↓
Lo Low (pH 4.5-6) 2.51 7.31 -54.91 3 6 1 89 389.357 5 ↓

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

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