| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 23 | Yes |
Popular Name: 1-cyclopentyl-3-ethyl-6-(2-thienylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one 1-cyclopentyl-3-ethyl-6-(2-thien…
| 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) | 3.69 | 9.49 | -12.24 | 1 | 5 | 0 | 64 | 328.441 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 7.11 | -47.05 | 0 | 5 | -1 | 67 | 327.433 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5656629; US5977118 | IBM Patent Data |
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)
![1-cyclopentyl-6-(2-thenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/14438.gif)