| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: N-[[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(3,5-dihydro-2H-1,4-benzox…
| 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) | 1.91 | 5.03 | -44.5 | 2 | 5 | 1 | 55 | 288.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 3.65 | -7.48 | 1 | 5 | 0 | 51 | 287.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 7.12 | -101.76 | 3 | 5 | 2 | 56 | 289.379 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
