| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | Yes |
Popular Name: N-[[2-(azepan-1-yl)-1H-imidazol-4-yl]methyl]propan-2-amine N-[[2-(azepan-1-yl)-1H-imidazol-…
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) | 2.23 | 8.83 | -96.07 | 4 | 4 | 2 | 50 | 238.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 7.66 | -25.54 | 3 | 4 | 1 | 45 | 237.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.44 | -39.2 | 3 | 4 | 1 | 49 | 237.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
