| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 24 | Yes |
Popular Name: 1-(4-chlorophenyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine 1-(4-chlorophenyl)-4-[[4-(2-fluo…
| 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) | 4.36 | 10.18 | -47.46 | 1 | 3 | 1 | 17 | 349.857 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.36 | 7.87 | -6.79 | 0 | 3 | 0 | 16 | 348.849 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1800 | 0.34 | Binding ≤ 10μM |
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.35 | Binding ≤ 10μM |
| DRD2-3-E | Dopamine D2 Receptor (cluster #3 Of 24), Eukaryotic | Eukaryotes | 1100 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_PIG | P50130 | Dopamine D1 Receptor, Pig | 1400 | 0.34 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1100 | 0.35 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1100 | 0.35 | Binding ≤ 10μM |
| 5HT2A_PIG | P50129 | Serotonin 2a (5-HT2a) Receptor, Pig | 1800 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
