| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 16 | Yes |
Popular Name: N-[[2-(azepan-1-yl)-1H-imidazol-4-yl]methyl]ethanamine 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) | 1.94 | 8.32 | -96.91 | 4 | 4 | 2 | 50 | 224.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.95 | -25.52 | 3 | 4 | 1 | 45 | 223.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 7.92 | -40.85 | 3 | 4 | 1 | 49 | 223.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
