| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 12 | No |
Popular Name: 2-[(3R)-2-oxo-3-(sulfanylmethyl)pyrrolidin-1-yl]acetic 2-[(3R)-2-oxo-3-(sulfanylmethyl)…
| 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) | -1.18 | 3.43 | -55.23 | 0 | 4 | -1 | 60 | 188.228 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3700 | 0.63 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3700 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 3700 | 0.63 | Binding ≤ 10μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 3700 | 0.63 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
