| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 25 | Yes |
| 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) | 3.48 | 6.95 | -29.2 | 1 | 4 | 1 | 34 | 334.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 9.21 | -87.81 | 2 | 4 | 2 | 35 | 335.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 9.24 | -106.77 | 2 | 4 | 2 | 35 | 335.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 7.86 | -41.42 | 1 | 4 | 1 | 34 | 334.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 5.47 | -7.75 | 0 | 4 | 0 | 33 | 333.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 7.88 | -37.75 | 1 | 4 | 1 | 34 | 334.443 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8400 | 0.28 | Binding ≤ 10μM |
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1450 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 8400 | 0.28 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 1450 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
