| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: 4-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]butan-1-amine 4-[4-[2-(2-methylimidazol-1-yl)e…
| 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) | -0.38 | 6.29 | -148.85 | 5 | 5 | 3 | 54 | 282.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 5.81 | -105.95 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
