| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 17 | Yes |
Popular Name: 3-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-N-methyl-propanamide 3-[[2-(azepan-1-yl)-2-oxo-ethyl]…
| 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) | -0.11 | 3.18 | -45.9 | 3 | 5 | 1 | 66 | 242.343 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.11 | 1.83 | -11.42 | 2 | 5 | 0 | 61 | 241.335 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
