UCSF

ZINC67935182

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(8-quinolylmethyl)amino]methyl]piperidin-2-one (3S)-3-hydroxy-1-(2-methoxyethyl…

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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) 0.86 7.62 -36.8 2 6 1 67 358.462 7 ↓
Mid Mid (pH 6-8) 0.86 5.66 -13.02 1 6 0 66 357.454 7 ↓

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

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