UCSF

ZINC71577326

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 14 Yes

Popular Name: (3S,5S)-3-(4-bromophenyl)-5-methyl-morpholine (3S,5S)-3-(4-bromophenyl)-5-meth…

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Annotations

Vendors

    None

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) 2.66 5.05 -40.21 2 2 1 26 257.151 1 ↓
Mid Mid (pH 6-8) 2.66 4.01 -2.3 1 2 0 21 256.143 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998015541A1 IBM Patent Data

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Rings

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

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