UCSF

ZINC13407859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 12 No

Popular Name: (5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one (5R)-5-isopropenyl-2-methyl-cycl…

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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) 2.96 4.04 -4.57 1 2 0 33 165.236 1 ↓
Ref Reference (pH 7) 2.96 4.05 -4.99 1 2 0 33 165.236 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 71.5 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.