UCSF

ZINC69564612

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Popular Name: (5S)-5-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-2-one (5S)-5-[4-(4-ethoxypyrimidin-2-y…

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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) 0.62 4.79 -14.54 1 8 0 88 333.392 4 ↓
Lo Low (pH 4.5-6) 0.62 4.98 -44.89 2 8 1 89 334.4 4 ↓

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

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