| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 22 | Yes |
Popular Name: (3E)-N,N-dimethyl-3-(2-methyl-6H-benzo[c][2]benzoxepin-11-ylidene)propan-1-amine (3E)-N,N-dimethyl-3-(2-methyl-6H…
| 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) | 4.28 | 11.82 | -37.44 | 1 | 2 | 1 | 14 | 294.418 | 3 | ↓ |
| 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 | 0.13 | 0.63 | Binding ≤ 1μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 0.13 | 0.63 | Binding ≤ 10μM |
