| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 20 | Yes |
Popular Name: 7-[2-(dipropylamino)ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one 7-[2-(dipropylamino)ethyl]-4-hyd…
| 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) | 3.47 | 6.25 | -58.27 | 2 | 4 | 0 | 60 | 294.42 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| DRD2-19-E | Dopamine D2 Receptor (cluster #19 Of 24), Eukaryotic | Eukaryotes | 49 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 49 | 0.51 | Binding ≤ 1μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 49 | 0.51 | Binding ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 0.1 | 0.70 | Functional ≤ 10μM |
