| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | Yes |
Popular Name: butyl-(p-tolyl)BLAHdione butyl-(p-tolyl)BLAHdione
| 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) | 4.36 | 11.37 | -9.12 | 1 | 5 | 0 | 56 | 401.51 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.35 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 350 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 26 | 0.35 | Binding ≤ 1μM |
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 26 | 0.35 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 350 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects |
