| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: [(1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cycloheptyl]methanamine [(1R,2S)-2-(3,5-dihydro-2H-1,4-b…
| 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) | 2.69 | 5.52 | -48.72 | 3 | 3 | 1 | 40 | 275.416 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 6.57 | -117.51 | 4 | 3 | 2 | 41 | 276.424 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
