| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 20 | No |
| 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) | -0.07 | -2.78 | -46.01 | 1 | 5 | -1 | 80 | 312.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | -3.74 | -109.19 | 1 | 5 | -2 | 80 | 311.384 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 19.9526231 | 0.54 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 19.9526231 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
