| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2008 | 27 | Yes |
Popular Name: (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-indolin-1-yl-propan-1-one (2R)-2-[4-[(4-chlorophenyl)methy…
| 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) | 3.68 | 10.93 | -40.62 | 1 | 4 | 1 | 28 | 384.931 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 8.79 | -11.01 | 0 | 4 | 0 | 27 | 383.923 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 11.04 | -46.44 | 1 | 4 | 1 | 28 | 384.931 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 281 | 0.34 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 4819 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 281 | 0.34 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 4819 | 0.28 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 281 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
