| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 21 | Yes |
Popular Name: 5-bromo-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-3-methoxy-benzamide 5-bromo-N-[[(2R)-1-ethylpyrrolid…
| 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) | 2.78 | 5.8 | -42.3 | 3 | 5 | 1 | 63 | 358.256 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 4.41 | -54.67 | 1 | 5 | -1 | 65 | 356.24 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 6.74 | -66.52 | 2 | 5 | 0 | 66 | 357.248 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 8210 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 8210 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
