UCSF

ZINC54935606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 No

Popular Name: 1-(2-methylpyrimidin-4-yl)piperidin-4-one 1-(2-methylpyrimidin-4-yl)piperi…

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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) 0.35 3.11 -7.52 1 5 0 62 206.249 1 ↓
Mid Mid (pH 6-8) 0.35 3.56 -34.97 2 5 1 63 207.257 1 ↓

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

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