UCSF

ZINC71551957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: 5-methoxy-2-[[(3R)-3-(naphthalene-2-carbonyl)-1-piperidyl]methyl]pyran-4-one 5-methoxy-2-[[(3R)-3-(naphthalen…

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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) 2.96 12.05 -61.21 1 5 1 61 378.448 5 ↓
Mid Mid (pH 6-8) 2.96 9.81 -17.74 0 5 0 60 377.44 5 ↓

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

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