UCSF

ZINC11821707

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 26 Yes

Popular Name: (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(3-methyl-4-pyridyl)methylamino]methyl]piperidin-2-one (3R)-1-[(4-fluorophenyl)methyl]-…

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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) 1.38 -2.06 -45.36 3 5 1 70 358.437 6 ↓
Lo Low (pH 4.5-6) 1.38 -1.95 -98.44 4 5 2 71 359.445 6 ↓

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