| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 23 | Yes |
Popular Name: 1-[2-[4-[(1R)-indan-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one 1-[2-[4-[(1R)-indan-1-yl]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) | 1.27 | 5.84 | -42.11 | 2 | 5 | 1 | 40 | 315.441 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.6 | -13.1 | 1 | 5 | 0 | 39 | 314.433 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 5.92 | -46.59 | 2 | 5 | 1 | 40 | 315.441 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5100 | 0.32 | Binding ≤ 10μM |
| 5HT2B-2-E | Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5100 | 0.32 | Binding ≤ 10μM |
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5100 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 5100 | 0.32 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 5100 | 0.32 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 5100 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Serotonin receptors |
