| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 24 | Yes |
Popular Name: 7-dimethylamino-N-(3,4-dimethylisoxazol-5-yl)naphthalene-1-sulfonamide 7-dimethylamino-N-(3,4-dimethyli…
| 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) | 3.15 | 4.3 | -61.03 | 0 | 6 | -1 | 78 | 344.416 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 5.07 | -60.49 | 1 | 6 | 0 | 79 | 345.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 5.69 | -47.53 | 2 | 6 | 0 | 77 | 346.432 | 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 | 5600 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 5600 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
