| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 27 | Yes |
Popular Name: 3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic 3-methoxy-2-(4-methylpyrimidin-2…
| 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) | 2.45 | 8.38 | -62.22 | 0 | 6 | -1 | 84 | 363.393 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 19 | 0.40 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1900 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 19 | 0.40 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 19 | 0.40 | Binding ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 1900 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.