UCSF

ZINC71510286

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 Yes

Popular Name: (3S,5R)-3-(4-methoxyphenyl)-5-methyl-morpholine (3S,5R)-3-(4-methoxyphenyl)-5-me…

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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) 1.91 3.82 -37.61 2 3 1 35 208.281 2 ↓
Hi High (pH 8-9.5) 1.91 2.79 -3.78 1 3 0 30 207.273 2 ↓

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.