| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 24 | No |
None
None
| 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) | -0.81 | 5.89 | -23.17 | 3 | 9 | 0 | 113 | 347.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 5.67 | -52.35 | 2 | 9 | -1 | 111 | 346.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2-dihydropyrazolo[3,4-b]pyridin-3-one](http://zinc12.docking.org/img/rings/16130.gif)
![3-keto-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxamide](http://zinc12.docking.org/img/rings/462729.gif)