UCSF

ZINC34611459

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 Yes

Popular Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS…

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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) 0.17 2.96 -11.22 5 10 0 166 483.558 7 ↓
Mid Mid (pH 6-8) 0.17 3.37 -53.98 6 10 1 167 484.566 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0318855A2; US5093331 IBM Patent Data

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