| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 52 | 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) | 8.98 | 25.07 | -106.48 | 2 | 8 | 2 | 63 | 702.988 | 21 | ↓ |
| Hi High (pH 8-9.5) | 8.98 | 22.92 | -51.45 | 1 | 8 | 1 | 62 | 701.98 | 21 | ↓ |
| Mid Mid (pH 6-8) | 8.98 | 25.23 | -147.95 | 3 | 8 | 3 | 64 | 703.996 | 21 | ↓ |
| Lo Low (pH 4.5-6) | 8.98 | 26 | -191.84 | 4 | 8 | 4 | 65 | 705.004 | 21 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5414010 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 28 | 0.20 | Binding ≤ 10μM |
| DRD2-7-E | Dopamine D2 Receptor (cluster #7 Of 24), Eukaryotic | Eukaryotes | 1495 | 0.16 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 28 | 0.20 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1495 | 0.16 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 28 | 0.20 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
