| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 20 | Yes |
Popular Name: 2-[(3R)-1-(cyclopropylmethyl)-3-piperidyl]-1-(4-fluorophenyl)ethanone 2-[(3R)-1-(cyclopropylmethyl)-3-…
| 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) | 3.57 | 11.21 | -40.96 | 1 | 2 | 1 | 22 | 276.375 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 17 | 0.54 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 185 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 185 | 0.47 | Binding ≤ 1μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 17 | 0.54 | Binding ≤ 1μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 185 | 0.47 | Binding ≤ 10μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 17 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
