UCSF

ZINC04889547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 31 Yes

Popular Name: 2-[(6-bromobenzo[1,3]dioxol-5-yl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-methyl]-5,5-dimethyl 2-[(6-bromobenzo[1,3]dioxol-5-yl…

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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) 3.08 11.36 -12.61 0 6 0 87 491.378 3 ↓
Mid Mid (pH 6-8) 4.24 9.61 -39.84 1 6 -1 96 490.37 3 ↓
Mid Mid (pH 6-8) 4.24 8.74 -37.29 1 6 -1 96 490.37 3 ↓

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Rings

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

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