| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 11 | No |
Popular Name: 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine 4,6-Dichloro-1H-pyrazolo[3,4-d]p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42754-96-1 , [42754-96-1]
| 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) | 1.82 | 2.56 | -12.35 | 1 | 4 | 0 | 54 | 189.005 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 2.5 | -4.65 | 1 | 4 | 0 | 54 | 189.005 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 127 - 129 | Enamine Building Blocks |
| MP | 127...129 | Enamine Building Blocks |
| MP | 144 - 146 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5508277 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.