In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 21 | 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) | 3.44 | 9.64 | -40.59 | 1 | 3 | 1 | 21 | 278.379 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 7.18 | -8.43 | 0 | 3 | 0 | 19 | 277.371 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A-2-E | Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 200 | 0.45 | Binding ≤ 10μM |
5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 200 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 200 | 0.45 | Binding ≤ 1μM |
5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 200 | 0.45 | Binding ≤ 1μM |
5HT3A_RAT | P35563 | Serotonin 3a (5-HT3a) Receptor, Rat | 200 | 0.45 | Binding ≤ 10μM |
5HT3B_RAT | Q9JJ16 | Serotonin 3b (5-HT3b) Receptor, Rat | 200 | 0.45 | Binding ≤ 10μM |