| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 23 | Yes |
Popular Name: 2-[4-(4-pyridyl)butyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole 2-[4-(4-pyridyl)butyl]-1,3,4,9-t…
| 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) | 3.48 | 11.05 | -48.12 | 2 | 3 | 1 | 33 | 306.433 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 8.83 | -8.25 | 1 | 3 | 0 | 32 | 305.425 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 11.51 | -91.92 | 3 | 3 | 2 | 34 | 307.441 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2-23-E | Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic | Eukaryotes | 680 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 525 | 0.38 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 525 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
