| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 21 | No |
Popular Name: (2R)-2-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic (2R)-2-[[(2S)-2-benzyl-3-sulfany…
| 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) | 1.34 | 7.98 | -53.98 | 1 | 4 | -1 | 69 | 308.423 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP_HUMAN | P08473 | Neprilysin, Human | 4.5 | 0.56 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 4.5 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
