| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 27 | No |
Popular Name: N-[(3R)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,5-dioxo-pyrrolidin-3-yl]acetamide N-[(3R)-1-[2-[4-(2-methoxyphenyl…
| 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) | -0.12 | 3.79 | -17.94 | 1 | 8 | 0 | 82 | 374.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 6.01 | -45.31 | 2 | 8 | 1 | 83 | 375.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 6.01 | -44.14 | 2 | 8 | 1 | 83 | 375.449 | 6 | ↓ |
| 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 | 7586 | 0.27 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5678 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 7586 | 0.27 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 5678 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Serotonin receptors |
