UCSF

ZINC57489389

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 14 Yes

Popular Name: (2S,3S)-2-(4-fluorophenyl)piperidin-3-amine (2S,3S)-2-(4-fluorophenyl)piperi…

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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) 1.11 2.72 -42.88 4 2 1 40 195.261 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0783499A1; US5935972; WO1995006645A1; WO2000068224A1 IBM Patent Data

Activity (Go SEA)

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