| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 27 | No |
Popular Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonylpentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic 2-[(3S)-3-[[(1S)-1-ethoxycarbony…
| 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) | 2.15 | 10.17 | -56.63 | 2 | 7 | 0 | 103 | 376.453 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 9.11 | -56.04 | 1 | 7 | -1 | 99 | 375.445 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 2600 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
