| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 22 | 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) | 0.78 | 6.29 | -94.62 | 3 | 6 | 2 | 59 | 305.426 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 2.76 | -10.81 | 1 | 6 | 0 | 53 | 303.41 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 4.02 | -54.04 | 2 | 6 | 1 | 58 | 304.418 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine](http://zinc12.docking.org/img/rings/368088.gif)
![2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine](http://zinc12.docking.org/img/rings/30515.gif)
![1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanone](http://zinc12.docking.org/img/rings/400344.gif)