UCSF

ZINC12401464

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Substance Information

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

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

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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) 5.28 10.88 -19.8 2 5 0 67 494.476 9 ↓
Mid Mid (pH 6-8) 5.23 5.38 -36.51 2 5 1 69 495.484 8 ↓
Mid Mid (pH 6-8) 5.82 10.2 -39.15 1 5 -1 74 493.468 8 ↓

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

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