| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: (2R)-N-[[2-(azepan-1-yl)-4-pyridyl]methyl]-2-ethoxy-propanamide (2R)-N-[[2-(azepan-1-yl)-4-pyrid…
| 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) | 2.11 | 8.45 | -38.75 | 2 | 5 | 1 | 56 | 306.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 8.12 | -10.81 | 1 | 5 | 0 | 54 | 305.422 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
