UCSF

ZINC12401458

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 No

Popular Name: N-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluoromethyl)ethyl] N-[2,2,2-trifluoro-1-[2-(isobuty…

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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) 5.82 11.67 -16.97 2 4 0 58 470.498 8 ↓
Mid Mid (pH 6-8) 5.78 4.71 -39.85 2 4 1 60 471.506 7 ↓
Mid Mid (pH 6-8) 6.36 10.93 -33.3 1 4 -1 65 469.49 7 ↓

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