| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-ethyl-4-piperidyl]methanamine [4-(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) | 1.28 | 5.02 | -114.17 | 4 | 4 | 2 | 45 | 291.439 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 2.79 | -46.4 | 3 | 4 | 1 | 43 | 290.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 4.33 | -39.75 | 3 | 4 | 1 | 43 | 290.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
