| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 23 | No |
Popular Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione 1-[2-[4-(2-methoxyphenyl)piperaz…
| 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) | 1.01 | 6.43 | -40.48 | 1 | 6 | 1 | 54 | 318.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.11 | -12.37 | 0 | 6 | 0 | 53 | 317.389 | 5 | ↓ |
| 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 | 2087 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 2087 | 0.35 | Binding ≤ 10μM |
