| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2008 | 12 | Yes |
Popular Name: 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine 4-chloro-1,3-dimethyl-1H-pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 87412-89-3 , [87412-89-3]
| 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) | 1.11 | 4.37 | -6.2 | 0 | 4 | 0 | 44 | 182.614 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 112 - 114 | KeyOrganics |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/1523.gif)