UCSF

ZINC17992268

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 Yes

Popular Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-fluorophenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione 2-[(4,4-dimethyl-2,6-dioxocycloh…

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CAS Number: 139484-01-8

Download: MOL2 SDF SMILES Flexibase

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 12.34 -11.16 0 4 0 68 386.463 3 ↓
Mid Mid (pH 6-8) 3.73 10.84 -117.52 0 4 -2 80 384.447 3 ↓
Mid Mid (pH 6-8) 3.73 9.38 -40.48 1 4 -1 77 385.455 3 ↓
Mid Mid (pH 6-8) 3.15 11.12 -51.5 0 4 -1 74 385.455 3 ↓
Mid Mid (pH 6-8) 3.73 9.6 -41.22 1 4 -1 77 385.455 3 ↓

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