In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 16 | 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) | 3.80 | 10.85 | -28.55 | 1 | 1 | 1 | 4 | 218.364 | 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 | 24 | 0.67 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 24 | 0.67 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 24 | 0.67 | Binding ≤ 10μM |