UCSF

ZINC62321798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 Yes

Popular Name: (2S,4R)-4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[methyl-…

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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) 2.19 8.02 -31.4 1 4 1 39 292.447 5 ↓
Hi High (pH 8-9.5) 2.19 7.78 -8.61 0 4 0 38 291.439 5 ↓
Lo Low (pH 4.5-6) 2.19 9.95 -42.63 1 4 1 39 292.447 5 ↓

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

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