| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2010 | 20 | No |
| 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) | 0.14 | 3.25 | -81.7 | 4 | 7 | 2 | 86 | 275.36 | 1 | ↓ |
| Ref Reference (pH 7) | 0.28 | 3.83 | -84.17 | 4 | 7 | 2 | 83 | 275.36 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 1.66 | -6.9 | 2 | 7 | 0 | 81 | 273.344 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 3.37 | -40.99 | 3 | 7 | 1 | 82 | 274.352 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 3.33 | -91.07 | 4 | 7 | 2 | 83 | 275.36 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 3.27 | -45.47 | 3 | 7 | 1 | 83 | 274.352 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 1.54 | -29.47 | 3 | 7 | 1 | 85 | 274.352 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 2.12 | -29.71 | 3 | 7 | 1 | 82 | 274.352 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 2.8 | -38.45 | 3 | 7 | 1 | 85 | 274.352 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/415620.gif)
![1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine](http://zinc12.docking.org/img/rings/3890.gif)
![4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/607564.gif)