UCSF

ZINC38141487

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 37 No

Popular Name: (1R,3aS,3bS,5aR,9aR,9bR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4 (1R,3aS,3bS,5aR,9aR,9bR,11aS)-N-…

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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) 6.23 11.38 -11.96 2 4 0 58 528.537 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0719278B1; US5565467; US5846976 IBM Patent Data

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