UCSF

ZINC13405733

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 15 No

Popular Name: (1S,5R)-5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione (1S,5R)-5,8,8-trimethylbicyclo[3…

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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) 2.23 0.69 -8.9 2 4 0 65 210.277 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 209 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

No pre-computed analogs available. Try a structural similarity search.