| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 21 | No |
Popular Name: 5-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-[[(3S)-1,1-dioxothiolan-3-y…
| 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) | -1.09 | 2.75 | -80.04 | 2 | 8 | 1 | 103 | 312.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.09 | 1.6 | -26.15 | 1 | 8 | 0 | 99 | 311.367 | 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)
![5-[2-[(1,1-diketothiolan-3-yl)amino]ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/74964.gif)