UCSF

ZINC53928234

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methyl-cyclohexanone (2S,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) 2.59 6.8 -6.3 0 2 0 20 263.303 5 ↓
Mid Mid (pH 6-8) 2.59 8.67 -37.92 1 2 1 22 264.311 5 ↓

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Rings

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

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