| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2004 | 17 | Yes |
Popular Name: DNC010213 DNC010213
| 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) | 3.53 | 10.4 | -35.45 | 1 | 1 | 1 | 4 | 226.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 8.22 | -3.05 | 0 | 1 | 0 | 3 | 225.335 | 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 | 7356 | 0.42 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5172 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 5172 | 0.44 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 7356 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Histamine receptors | |
| Serotonin receptors |
