UCSF

ZINC11842180

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 26 Yes

Popular Name: (3S)-3-[[(4-chlorophenyl)methylamino]methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxy-piperidin-2-one (3S)-3-[[(4-chlorophenyl)methyla…

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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) 2.92 -2.19 -48.81 3 4 1 57 377.867 6 ↓

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