UCSF

ZINC67955331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

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

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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) 0.91 7.99 -41.46 2 6 1 65 360.478 6 ↓
Mid Mid (pH 6-8) 0.91 6.84 -15.75 1 6 0 64 359.47 6 ↓

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

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