| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 35 | Yes |
Popular Name: 1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenyl-indole-2-carboxamide 1-[(2,6-difluorophenyl)methyl]-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) | 6.31 | 13.77 | -14.92 | 2 | 5 | 0 | 63 | 475.539 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 650 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 650 | 0.25 | Binding ≤ 1μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 650 | 0.25 | Binding ≤ 10μM |
