UCSF

ZINC53928245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 Yes

Popular Name: (2R,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethyl-cyclohexanone (2R,4S)-2-[[cyclopropyl(2,2,2-tr…

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Download: MOL2 SDF SMILES Flexibase

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) 3.28 7.55 -5.34 0 2 0 20 277.33 6 ↓
Mid Mid (pH 6-8) 3.28 9.62 -36.94 1 2 1 22 278.338 6 ↓

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

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