| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 21 | Yes |
Popular Name: 1-[4-[(5-ethyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-methoxy-ethanone 1-[4-[(5-ethyl-2-pyridyl)methyl]…
| 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) | 0.96 | 8.48 | -45.71 | 1 | 5 | 1 | 47 | 292.403 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 6.99 | -36.27 | 1 | 5 | 1 | 47 | 292.403 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 6.63 | -14.96 | 0 | 5 | 0 | 46 | 291.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
