| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2009 | 31 | Yes |
Popular Name: 3-chloro-6-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-11H-benzo[b][1,5]benzodiazepine 3-chloro-6-[4-[(2,4-difluorophen…
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| 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) | 5.80 | 11.39 | -8.3 | 1 | 4 | 0 | 35 | 438.909 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 13.6 | -46.04 | 2 | 4 | 1 | 36 | 439.917 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 835 | 0.27 | Binding ≤ 10μM |
| DRD2-15-E | Dopamine D2 Receptor (cluster #15 Of 24), Eukaryotic | Eukaryotes | 177 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 835 | 0.27 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 177 | 0.30 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 835 | 0.27 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 177 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
