| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 54 | No |
| 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) | 9.30 | 26.64 | -123.68 | 2 | 8 | 2 | 63 | 731.042 | 23 | ↓ |
| Hi High (pH 8-9.5) | 9.30 | 24.54 | -55.59 | 1 | 8 | 1 | 62 | 730.034 | 23 | ↓ |
| Mid Mid (pH 6-8) | 9.30 | 27.18 | -150.24 | 3 | 8 | 3 | 64 | 732.05 | 23 | ↓ |
| Lo Low (pH 4.5-6) | 9.30 | 27.7 | -183.53 | 4 | 8 | 4 | 65 | 733.058 | 23 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 131 | 0.18 | Binding ≤ 10μM |
| DRD2-4-E | Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic | Eukaryotes | 1750 | 0.15 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 131 | 0.18 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1750 | 0.15 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 131 | 0.18 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
