| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 25 | Yes |
Popular Name: 1-[3-(4-fluorophenoxy)propyl]-4-(2-methoxyphenyl)piperazin-1-ium 1-[3-(4-fluorophenoxy)propyl]-4-…
| 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) | 4.06 | 10.6 | -43.03 | 1 | 4 | 1 | 26 | 345.438 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 8.4 | -6.58 | 0 | 4 | 0 | 25 | 344.43 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| DRD2-11-E | Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 3.3 | 0.47 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 3.4 | 0.47 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 3.3 | 0.47 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 3.4 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
