| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 23 | Yes |
Popular Name: 6-[[benzyl(isopropyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[benzyl(isopropyl)amino]methy…
| 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) | 1.51 | 6.51 | -11.4 | 1 | 6 | 0 | 67 | 311.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 5.77 | -44.4 | 1 | 6 | 0 | 71 | 311.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 8.28 | -53.57 | 2 | 6 | 1 | 68 | 312.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1171.gif)
![6-[(benzylamino)methyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/25038.gif)