| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | 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) | 0.06 | 6.87 | -34.57 | 1 | 6 | 1 | 52 | 319.429 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 6.4 | -17.58 | 0 | 6 | 0 | 51 | 318.421 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.06 | 8.57 | -48.41 | 1 | 6 | 1 | 52 | 319.429 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine](http://zinc12.docking.org/img/rings/26506.gif)
![3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine](http://zinc12.docking.org/img/rings/1452.gif)
![1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone](http://zinc12.docking.org/img/rings/354099.gif)