| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 27 | Yes |
Popular Name: (4S)-4-[(4-hydroxy-4-oxo-butanoyl)amino]-5-(4-phenylphenyl)pentanoic (4S)-4-[(4-hydroxy-4-oxo-butanoy…
None
| 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) | 2.58 | 9.68 | -112.14 | 1 | 6 | -2 | 109 | 367.401 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0555175A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP-1-E | Neprilysin (cluster #1 Of 2), Eukaryotic | Eukaryotes | 99 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP_RAT | P07861 | Neprilysin, Rat | 99 | 0.36 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 99 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
