| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 20 | Yes |
Popular Name: (2S,4S)-4-isopropyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanone (2S,4S)-4-isopropyl-2-[[methyl-[…
| 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) | 2.36 | 7.5 | -29.64 | 1 | 4 | 1 | 39 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 7.26 | -7.98 | 0 | 4 | 0 | 38 | 277.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 9.4 | -39.91 | 1 | 4 | 1 | 39 | 278.42 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(1H-imidazol-2-ylmethylamino)methyl]cyclohexanone](http://zinc12.docking.org/img/rings/99184.gif)