| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridyl]methanamine [3-(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) | 1.36 | 3.58 | -47.51 | 3 | 4 | 1 | 53 | 270.356 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 3.19 | -7.64 | 2 | 4 | 0 | 51 | 269.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.31 | -120.15 | 4 | 4 | 2 | 54 | 271.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 4.92 | -42.11 | 3 | 4 | 1 | 53 | 270.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
