| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 23 | Yes |
Popular Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-2,6-dimethoxy-benzamide 3-bromo-N-[(1-ethylpyrrolidin-2-…
| 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) | 2.19 | 3.54 | -40.7 | 3 | 6 | 1 | 72 | 388.282 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.46 | -61.29 | 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 |
|---|---|---|---|---|---|
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1.41253754 | 0.54 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
