| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 23 | Yes |
Popular Name: 1-[9-hydroxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(methylamino)ethanone 1-[9-hydroxy-7-(3-pyridyl)-3,5-d…
| 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) | 0.90 | 3.63 | -49.81 | 3 | 6 | 1 | 79 | 314.365 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.18 | -13.83 | 2 | 6 | 0 | 75 | 313.357 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 4.09 | -90.47 | 4 | 6 | 2 | 81 | 315.373 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
