UCSF

ZINC14014355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 Yes

Popular Name: 1,3-cyclohexanedione, 2-[(2-chloro-6-fluorophenyl)(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) 3.19 12.55 -11.03 0 4 0 68 420.908 3 ↓
Mid Mid (pH 6-8) 4.36 11.72 -113.35 0 4 -2 80 418.892 3 ↓
Mid Mid (pH 6-8) 4.36 10.79 -44.65 1 4 -1 77 419.9 3 ↓
Mid Mid (pH 6-8) 3.78 11.55 -45.56 0 4 -1 74 419.9 3 ↓

Activity (Go SEA)

Rings

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

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