UCSF

ZINC39264272

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 No

Popular Name: bicyclo[2.2.2]octane-1-carbonyl bicyclo[2.2.2]octane-1-carbonyl

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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) 2.77 5.88 -2.8 0 1 0 17 172.655 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4400061 IBM Patent Data

Activity (Go SEA)

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