| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 24 | Yes |
Popular Name: (5S)-3-allyl-9-bromo-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (5S)-3-allyl-9-bromo-5-(4-hydrox…
| 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) | 3.66 | 5.64 | -60.79 | 3 | 4 | 0 | 68 | 390.277 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 3.36 | -42.45 | 2 | 4 | -1 | 67 | 389.269 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.66 | 4.88 | -47.17 | 4 | 4 | 1 | 65 | 391.285 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.43 | Functional ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 174 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 50 | 0.43 | Functional ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 174 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
