| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 20 | No |
Popular Name: 2-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]-methyl-amino]ethanesulfonic 2-[[(2S)-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) | -0.76 | 3.8 | -48.2 | 0 | 5 | -1 | 78 | 316.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | 4.34 | -95.94 | 0 | 5 | -2 | 78 | 315.416 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 490 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP_RAT | P07861 | Neprilysin, Rat | 490 | 0.44 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 490 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
