| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 15 | Yes |
Popular Name: 1-[2-(azepan-1-yl)-1H-imidazol-4-yl]-N-methyl-methanamine 1-[2-(azepan-1-yl)-1H-imidazol-4…
None
| 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) | 1.56 | 7.46 | -96.39 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 6.02 | -25.51 | 3 | 4 | 1 | 45 | 209.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 7.06 | -41.71 | 3 | 4 | 1 | 49 | 209.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
