| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 17 | Yes |
Popular Name: 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanamine 4-[[methyl-[(1-methylimidazol-2-…
| 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) | 0.08 | 4.45 | -82.98 | 4 | 4 | 2 | 50 | 238.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 3.85 | -44.45 | 3 | 4 | 1 | 49 | 237.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 6.44 | -172.15 | 5 | 4 | 3 | 51 | 239.387 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.08 | 5.8 | -96.49 | 4 | 4 | 2 | 50 | 238.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
