| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: 3-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-N,N-dimethyl-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) | -0.31 | 5.15 | -45.64 | 2 | 5 | 1 | 57 | 256.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 3.79 | -11.3 | 1 | 5 | 0 | 53 | 255.362 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
