| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 33 | No |
Popular Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic (Z)-2-(1,3-benzodioxol-5-yl)-3-b…
| 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) | 3.84 | 11.77 | -65.42 | 0 | 7 | -1 | 94 | 445.447 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 11 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 11 | 0.34 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 11 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
