| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 24 | Yes |
Popular Name: 2-[(11E)-11-(3-dimethylaminopropylidene)-6H-benzo[c][1]benzoxepin-2-yl]ethanol 2-[(11E)-11-(3-dimethylaminoprop…
| 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) | 3.38 | 9.24 | -39.52 | 2 | 3 | 1 | 34 | 324.444 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 0.48 | 0.54 | Binding ≤ 1μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 0.48 | 0.54 | Binding ≤ 10μM |
