| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 20 | Yes |
Popular Name: 1-[(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydronaphtho[1,2-b][1,4]oxazin-9-yl]ethanone 1-[(4aR,10bR)-4-propyl-2,3,4a,5,…
| 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) | 3.02 | 6.33 | -10.31 | 0 | 3 | 0 | 30 | 273.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.59 | -42.27 | 1 | 3 | 1 | 31 | 274.384 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 95 | 0.49 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 3090 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 95.4992586 | 0.49 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 3090.29543 | 0.39 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 95.4992586 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
