| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 25 | Yes |
Popular Name: 2-[4-[(5-methyl-2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine 2-[4-[(5-methyl-2-phenyl-3H-imid…
| 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) | 2.61 | 7.76 | -33.45 | 2 | 6 | 1 | 62 | 335.435 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 7.36 | -12.59 | 1 | 6 | 0 | 61 | 334.427 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 9.89 | -40.38 | 2 | 6 | 1 | 62 | 335.435 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 10.15 | -108.4 | 3 | 6 | 2 | 63 | 336.443 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2980 | 0.31 | Binding ≤ 10μM |
| DRD4-4-E | Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| DRD2-6-E | Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic | Eukaryotes | 1440 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 6 | 0.46 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1440 | 0.33 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2980 | 0.31 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 6 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
