| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 34 | Yes |
Popular Name: 5-(3,3-dimethylbutanoylamino)-1-(m-tolylmethyl)-N-phenyl-indole-2-carboxamide 5-(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) | 6.50 | 14.5 | -14.67 | 2 | 5 | 0 | 63 | 453.586 | 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 | 3000 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 3000 | 0.23 | Binding ≤ 10μM |
