| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 22 | Yes |
Popular Name: N-[(1S)-1-(4-pyridyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide N-[(1S)-1-(4-pyridyl)ethyl]-3,4-…
| 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) | 1.58 | 5.65 | -12.85 | 1 | 5 | 0 | 60 | 298.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 6.11 | -48.17 | 2 | 5 | 1 | 62 | 299.35 | 3 | ↓ |
