UCSF

ZINC14015975

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 26 No

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

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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) 2.56 10.11 -121.48 0 5 -2 93 356.418 3 ↓
Mid Mid (pH 6-8) 1.98 8.17 -42.03 0 5 -1 87 357.426 3 ↓
Mid Mid (pH 6-8) 2.56 8.81 -40.21 1 5 -1 91 357.426 3 ↓
Lo Low (pH 4.5-6) 1.98 7.1 -45.64 1 5 0 85 358.434 3 ↓

Activity (Go SEA)

Rings

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