| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 23 | Yes |
Popular Name: 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3,6-dimethoxy-benzamide 5-bromo-N-[[(2R)-1-ethylpyrrolid…
None
| 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) | 2.22 | 3.63 | -40.53 | 3 | 6 | 1 | 72 | 388.282 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.22 | -48.44 | 1 | 6 | -1 | 74 | 386.266 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 4.56 | -57.34 | 2 | 6 | 0 | 75 | 387.274 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5240957 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 8 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 67 | 0.44 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 6170 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
