UCSF

ZINC67743284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 Yes

Popular Name: 4-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]piperazin-2-one 4-[[(3R)-3-hydroxy-2-oxo-1-phene…

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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) 0.80 4.98 -41.56 3 6 1 74 332.424 5 ↓
Mid Mid (pH 6-8) 0.80 3.85 -14.99 2 6 0 73 331.416 5 ↓

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Rings

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

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