| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 24 | Yes |
Popular Name: 6-[(4-butanoyl-1,4-diazepan-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-butanoyl-1,4-diazepan-1-yl…
| 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) | 0.36 | 5.66 | -16.03 | 1 | 8 | 0 | 87 | 332.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 7.41 | -59.33 | 2 | 8 | 1 | 88 | 333.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 5.02 | -56.1 | 1 | 8 | 0 | 91 | 332.408 | 4 | ↓ |
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-(1,4-diazepan-1-ylmethyl)-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/25034.gif)