| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 18 | Yes |
Popular Name: 3-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide 3-amino-N-(3,4-dimethylisoxazol-…
| 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) | 0.96 | -0.55 | -51.43 | 2 | 6 | -1 | 100 | 266.302 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 0.11 | -13.4 | 3 | 6 | 0 | 98 | 267.31 | 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 | 1300 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 1300 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
