| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 25 | Yes |
Popular Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-methyl-N-phenyl-acetamide 2-[4-[(4-chlorophenyl)methyl]pip…
| 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) | 3.36 | 10.06 | -41.98 | 1 | 4 | 1 | 28 | 358.893 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 7.81 | -9.52 | 0 | 4 | 0 | 27 | 357.885 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 10.22 | -43.99 | 1 | 4 | 1 | 28 | 358.893 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 59 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 59 | 0.40 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 59 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
