| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | Yes |
| 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) | 3.04 | 5.78 | -42.79 | 2 | 3 | 1 | 29 | 295.472 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 4.42 | -3.4 | 1 | 3 | 0 | 24 | 294.464 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 7.97 | -125.79 | 3 | 3 | 2 | 30 | 296.48 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 6.59 | -37.69 | 2 | 3 | 1 | 26 | 295.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine](http://zinc12.docking.org/img/rings/1452.gif)
![2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl-(2-thenyl)amine](http://zinc12.docking.org/img/rings/61746.gif)