UCSF

ZINC66202261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 32 No

Popular Name: 1,3-cyclohexanedione, 2-[(2-chloro-4,5-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl- 1,3-cyclohexanedione, 2-[(2-chlo…

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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) 3.87 11.19 -112.03 0 6 -2 99 460.954 5 ↓
Mid Mid (pH 6-8) 3.28 11.15 -42.57 0 6 -1 93 461.962 5 ↓
Mid Mid (pH 6-8) 3.87 10.08 -42.48 1 6 -1 96 461.962 5 ↓

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Rings

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

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