UCSF

ZINC62321776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 Yes

Popular Name: (2R,4R)-4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[methyl-[(1-m…

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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) 1.55 7.01 -33.6 1 4 1 39 264.393 5 ↓
Hi High (pH 8-9.5) 1.55 6.78 -11.7 0 4 0 38 263.385 5 ↓
Lo Low (pH 4.5-6) 1.55 8.96 -44.57 1 4 1 39 264.393 5 ↓

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

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