| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 26 | No |
Popular Name: (E)-3-[(11Z)-11-(3-dimethylaminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]prop-2-enoic (E)-3-[(11Z)-11-(3-dimethylamino…
| 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 | 12.03 | -67.52 | 1 | 4 | 0 | 54 | 349.43 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 29 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 29 | 0.41 | Binding ≤ 1μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 29 | 0.41 | Binding ≤ 10μM |
