| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: [(1S,2R,4R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-ethyl-cyclohexyl]methanamine [(1S,2R,4R)-2-(3,5-dihydro-2H-1,…
| 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) | 2.88 | 6.18 | -47.18 | 3 | 3 | 1 | 40 | 289.443 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 7.68 | -116.71 | 4 | 3 | 2 | 41 | 290.451 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
