| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 26 | No |
Popular Name: 2-[(6R)-2,2-dimethyl-7-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]acetic 2-[(6R)-2,2-dimethyl-7-oxo-6-[[(…
| 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) | 0.92 | -1.17 | -71.25 | 1 | 6 | -1 | 90 | 377.486 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | -2.13 | -141.41 | 1 | 6 | -2 | 90 | 376.478 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.43 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 63 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 12 | 0.43 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 63 | 0.39 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 12 | 0.43 | Binding ≤ 10μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 63 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
