| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 22 | No |
Popular Name: (6S)-6-[4-(2-pyridyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (6S)-6-[4-(2-pyridyl)piperazin-1…
| 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) | 2.15 | 4.49 | -36.18 | 3 | 5 | 1 | 60 | 316.454 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 6.46 | -45.2 | 3 | 5 | 1 | 59 | 316.454 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 4.2 | -10.09 | 2 | 5 | 0 | 58 | 315.446 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 7.13 | -162.15 | 5 | 5 | 3 | 62 | 318.47 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 320 | 0.41 | Functional ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 800 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 100 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
