UCSF

ZINC38527736

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 21 Yes

Popular Name: 3-[2-[[(1S,4R,5R,6R)-5-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic 3-[2-[[(1S,4R,5R,6R)-5-(hydroxym…

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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) 2.34 5.94 -46.93 1 4 -1 70 289.351 6 ↓
Lo Low (pH 4.5-6) 2.34 3.96 -7.93 2 4 0 67 290.359 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5100889; US5135939; US5153327; US5238951; US5290799 IBM Patent Data

Activity (Go SEA)

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