| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 23 | Yes |
Popular Name: 6-[[(3-chlorophenyl)methyl-ethyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3-chlorophenyl)methyl-ethyl…
| 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) | 1.87 | 8.96 | -58.4 | 2 | 6 | 1 | 68 | 332.815 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 6.68 | -12.11 | 1 | 6 | 0 | 67 | 331.807 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 6.36 | -46.28 | 1 | 6 | 0 | 71 | 331.807 | 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)