| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 21 | Yes |
Popular Name: (5R)-8-chloro-3-methyl-5-(o-tolyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol (5R)-8-chloro-3-methyl-5-(o-toly…
| 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) | 4.29 | 8.99 | -45.96 | 2 | 2 | 1 | 25 | 302.825 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 6.6 | -4.29 | 1 | 2 | 0 | 23 | 301.817 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 7.27 | -44.95 | 0 | 2 | -1 | 26 | 300.809 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 9.66 | -69.6 | 1 | 2 | 0 | 27 | 301.817 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 0.8 | 0.61 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 0.8 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (s) signalling events |
