UCSF

ZINC58561892

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 Yes

Popular Name: 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyclohexylbutoxycarbonyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]me 3-[2-[[(1S,4R,5S,6R)-5-[4-(4-cyc…

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Vendors

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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) 6.32 14.09 -56.6 0 7 -1 102 508.635 13 ↓
Lo Low (pH 4.5-6) 6.32 12.11 -10.75 1 7 0 99 509.643 13 ↓

Vendor Notes

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

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