| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | Yes |
Popular Name: [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)isoxazol-3-yl]methanamine [5-(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) | 1.16 | 2.3 | -51.03 | 3 | 5 | 1 | 66 | 260.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 1.89 | -8.14 | 2 | 5 | 0 | 65 | 259.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 4.38 | -106.79 | 4 | 5 | 2 | 67 | 261.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
