UCSF

ZINC04411127

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 12 Yes

Popular Name: 2,7-dimethyl-4-oxabicyclo[4.3.0]nonan-3-one 2,7-dimethyl-4-oxabicyclo[4.3.0]…

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Download: MOL2 SDF SMILES Flexibase

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) 2.67 6.07 -6.1 0 2 0 26 168.236 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0167265A1; EP0167265B1; EP0450087A1; US4663346; US4869896 IBM Patent Data

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