| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 19 | Yes |
Popular Name: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,6-dihydro-5-phenyl-3-propyl- 7H-Pyrazolo[4,3-d]pyrimidin-7-on…
Find On: PubMed — Wikipedia — Google
CAS Number: 1070339-06-8
| 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) | 3.34 | 3.19 | -46.77 | 1 | 5 | -1 | 78 | 253.285 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 3.99 | -20 | 2 | 5 | 0 | 74 | 254.293 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 81 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 81.2830516 | 0.52 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 4500 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects |
No pre-computed analogs available. Try a structural similarity search.