| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 24 | No |
Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-octyl-piperazine 1-(2,3-dihydro-1,4-benzodioxin-5…
| 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) | 5.07 | 11.71 | -38.65 | 1 | 4 | 1 | 26 | 333.496 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.07 | 9.51 | -5.08 | 0 | 4 | 0 | 25 | 332.488 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 0.61 | 0.54 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 0.61 | 0.54 | Binding ≤ 10μM |
