| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 19 | No |
Popular Name: 2-[3-phenyl-2-(sulfanylmethyl)butanoyl]aminopropanoic 2-[3-phenyl-2-(sulfanylmethyl)bu…
| 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) | 0.83 | -0.07 | -46.54 | 1 | 4 | -1 | 69 | 280.369 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | -1.03 | -110.03 | 1 | 4 | -2 | 69 | 279.361 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 95 | 0.52 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_MOUSE | P09470 | Angiotensin-converting Enzyme, Mouse | 16 | 0.57 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 0.7 | 0.67 | Binding ≤ 1μM |
| ACE_MOUSE | P09470 | Angiotensin-converting Enzyme, Mouse | 16 | 0.57 | Binding ≤ 10μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 0.7 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
