UCSF

ZINC14015127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 Yes

Popular Name: 1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-methoxy-2,3-dimethylphenyl)methyl]-5,5-dimethyl- 1,3-cyclohexanedione, 2-[(2-hydr…

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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) 3.26 11.23 -17.7 0 5 0 78 426.553 4 ↓
Mid Mid (pH 6-8) 4.43 10.65 -113.38 0 5 -2 89 424.537 4 ↓
Mid Mid (pH 6-8) 4.43 9.54 -57.98 1 5 -1 87 425.545 4 ↓
Mid Mid (pH 6-8) 3.84 11.34 -40.22 0 5 -1 84 425.545 4 ↓

Activity (Go SEA)

Rings

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

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