| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 31 | No |
Popular Name: 2-(4-benzyloxyphenyl)-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-sulfanyl-ethyl]acetamide 2-(4-benzyloxyphenyl)-N-[(1R)-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) | 5.14 | 12.41 | -21.42 | 2 | 4 | 0 | 54 | 430.573 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6500 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 6500 | 0.23 | Binding ≤ 10μM |
