| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 23 | Yes |
Popular Name: 5-dimethylamino-N-(3-methylisoxazol-5-yl)naphthalene-1-sulfonamide 5-dimethylamino-N-(3-methylisoxa…
| 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) | 2.75 | 4.49 | -51.54 | 0 | 6 | -1 | 78 | 330.389 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 4.54 | -76.13 | 1 | 6 | 0 | 79 | 331.397 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 8900 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 8900 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
