UCSF

ZINC07123308

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 31 No

Popular Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-tert-butylphenyl)-methyl]-5,5-dimethyl-cyclohexane-1,3-dio 2-[(4,4-dimethyl-2,6-dioxo-cyclo…

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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) 5.79 14.8 -119.34 0 4 -2 80 422.565 4 ↓
Mid Mid (pH 6-8) 5.79 4.52 -16.54 2 4 0 74 424.581 4 ↓
Lo Low (pH 4.5-6) 5.21 14.73 -45.72 0 4 -1 74 423.573 4 ↓

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