UCSF

ZINC36455552

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 9 Yes

Popular Name: (1S,5R)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-4-one (1S,5R)-6,6-dimethyl-3-oxabicycl…

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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) 0.56 4.58 -7.19 0 2 0 26 126.155 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0051284A1; EP0054795A2; EP0079733A2; EP0102230A2; EP0113577A1; EP0131441A2; EP0247202A1; EP0247740A2; US4466980; US4472428; US4578482; US4649156; US4689426; US4711895; US4777271; US4788319; US4845282; US5175338; US5216183; US5283349; US5338844; US599034 IBM Patent Data

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