UCSF

ZINC62321752

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 Yes

Popular Name: (2S)-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanone (2S)-2-[[methyl-[(1-methylimidaz…

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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) 0.86 6.62 -27.12 1 4 1 39 236.339 4 ↓
Hi High (pH 8-9.5) 0.86 5.98 -13.47 0 4 0 38 235.331 4 ↓
Lo Low (pH 4.5-6) 0.86 7.85 -41.36 1 4 1 39 236.339 4 ↓

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

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