| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 23 | No |
Popular Name: 4-[[(2R)-2-benzyl-3-sulfanyl-propanoyl]amino]benzenesulfonic 4-[[(2R)-2-benzyl-3-sulfanyl-pro…
| 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) | 0.60 | 4.75 | -47.88 | 1 | 5 | -1 | 86 | 350.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 5.28 | -90.32 | 1 | 5 | -2 | 86 | 349.433 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP-1-E | Neprilysin (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP_RAT | P07861 | Neprilysin, Rat | 1.7 | 0.53 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.7 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
