| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 32 | Yes |
Popular Name: 2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-5-methoxy-3-(4-methoxyphenyl)isoindolin-2-yl]acetic 2-[(1R,3R)-1-(1,3-benzodioxol-5-…
| 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) | 3.20 | 9.42 | -38.58 | 1 | 7 | 0 | 82 | 433.46 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3300 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 3300 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
