| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 24 | Yes |
Popular Name: 3-methylsulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-[3-(pyrazol-1…
| 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) | 2.88 | 8.92 | -10.65 | 2 | 7 | 0 | 84 | 337.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 9 | -16.75 | 2 | 7 | 0 | 84 | 337.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 8.76 | -44.93 | 1 | 7 | -1 | 83 | 336.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/1523.gif)
![1H-pyrazolo[3,4-d]pyrimidin-4-yl-[3-(pyrazol-1-ylmethyl)phenyl]amine](http://zinc12.docking.org/img/rings/544021.gif)