| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2008 | 22 | No |
Popular Name: (2S)-2-[[(2R,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]hexanoic (2S)-2-[[(2R,3R)-3-phenyl-2-(sul…
| 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) | 2.43 | 8.74 | -54.92 | 1 | 4 | -1 | 69 | 322.45 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 9.28 | -116.6 | 1 | 4 | -2 | 69 | 321.442 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.52 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_MOUSE | P09470 | Angiotensin-converting Enzyme, Mouse | 7 | 0.52 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 3.1 | 0.54 | Binding ≤ 1μM |
| ACE_MOUSE | P09470 | Angiotensin-converting Enzyme, Mouse | 7 | 0.52 | Binding ≤ 10μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 3.1 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
