UCSF

ZINC32190974

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 12 No

Popular Name: (1R,3aR,7aS)-1-bromo-7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one (1R,3aR,7aS)-1-bromo-7a-methyl-3…

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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) 2.74 6.31 -3.9 0 1 0 17 231.133 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999029172A1 IBM Patent Data

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