UCSF

ZINC34344657

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 32 No

Popular Name: [(3S,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1,2-dioxo-3-vinyl-5,6 [(3S,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) 0.39 4.57 -9.95 3 9 0 140 454.516 5 ↓
Hi High (pH 8-9.5) 0.39 4.88 -41.76 2 9 -1 142 453.508 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0257631A2; US4740522; US4883885; US4933476; US5130332; US5247097 IBM Patent Data

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