UCSF

ZINC32205354

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 No

Popular Name: 1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione 1-(2,6,6-trimethylcyclohexen-1-y…

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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) 2.32 8.53 -12.94 0 2 0 34 208.301 3 ↓
Ref Reference (pH 7) 2.37 8.83 -12.23 0 2 0 34 208.301 3 ↓
Hi High (pH 8-9.5) 3.06 7.49 -47.49 0 2 -1 40 207.293 2 ↓
Hi High (pH 8-9.5) 3.06 7.51 -49.25 0 2 -1 40 207.293 2 ↓
Hi High (pH 8-9.5) 3.11 7.74 -50.95 0 2 -1 40 207.293 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3968161; US4157350; US4157351; US4167497; US4174286; US4228026; US4235247; US4271853 IBM Patent Data

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