UCSF

ZINC12401460

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 No

Popular Name: 3-phenyl-N-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluorometh 3-phenyl-N-[2,2,2-trifluoro-1-[2…

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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) 5.85 13.05 -18.31 2 4 0 58 492.504 10 ↓
Mid Mid (pH 6-8) 5.81 5.5 -39.95 2 4 1 60 493.512 9 ↓
Mid Mid (pH 6-8) 6.39 12.46 -34 1 4 -1 65 491.496 9 ↓

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

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