| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 2-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]acetamide 2-[4-(5-nitro-2-pyridyl)-1,4-dia…
| 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) | 0.16 | 4.9 | -52.43 | 3 | 8 | 1 | 109 | 280.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.26 | -12.72 | 2 | 8 | 0 | 108 | 279.3 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
