| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 28 | Yes |
Popular Name: 1-cyclopentyl-6-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one 1-cyclopentyl-6-[(3,4-dimethoxyp…
| 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) | 3.44 | 9.56 | -16 | 1 | 7 | 0 | 82 | 382.464 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 7.2 | -48.89 | 0 | 7 | -1 | 85 | 381.456 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | 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)
![6-benzyl-1-cyclopentyl-5H-pyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/14434.gif)