| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: [2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-methyl-3-pyridyl]methanamine [2-(3,5-dihydro-2H-1,4-benzoxaze…
| 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) | 1.60 | 6.52 | -106.52 | 4 | 4 | 2 | 54 | 271.364 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 5.65 | -8.45 | 2 | 4 | 0 | 51 | 269.348 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.08 | -55.21 | 3 | 4 | 1 | 53 | 270.356 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
