| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 18 | Yes |
Popular Name: 4-amino-N-(4-bromo-5-methyl-isoxazol-3-yl)benzenesulfonamide 4-amino-N-(4-bromo-5-methyl-isox…
| 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) | 1.35 | 1.72 | -52.16 | 2 | 6 | -1 | 100 | 331.171 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 1.56 | -80.95 | 3 | 6 | 0 | 102 | 332.179 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 510 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 510 | 0.49 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 510 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
