| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 18 | Yes |
| 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) | 2.50 | 5.93 | -41.74 | 2 | 3 | 1 | 29 | 243.33 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.51 | -5.82 | 1 | 3 | 0 | 24 | 242.322 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 34 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 34 | 0.58 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 34 | 0.58 | Binding ≤ 10μM |
