UCSF

ZINC12401462

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 No

Popular Name: 2-phenyl-N-[2,2,2-trifluoro-1-[2-(isobutylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1-(trifluorometh 2-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) 5.34 12.27 -20.53 2 4 0 58 478.477 9 ↓
Mid Mid (pH 6-8) 5.29 5.42 -42.71 2 4 1 60 479.485 8 ↓
Mid Mid (pH 6-8) 5.87 11.6 -34.4 1 4 -1 65 477.469 8 ↓

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

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