| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 34 | Yes |
Popular Name: 4-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-phenyl-indole-2-carboxamide 4-(3,3-dimethylbutanoylamino)-1-…
| 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) | 6.17 | 13.69 | -14.22 | 2 | 5 | 0 | 63 | 457.549 | 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 | 7400 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 7400 | 0.21 | Binding ≤ 10μM |
