| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 21 | No |
Popular Name: 2-(2-benzyl-3-sulfanyl-propanoyl)amino-4-methyl-pentanoic 2-(2-benzyl-3-sulfanyl-propanoyl…
| 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) | 1.34 | -0.24 | -54.16 | 1 | 4 | -1 | 69 | 308.423 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | -1.2 | -101.69 | 1 | 4 | -2 | 69 | 307.415 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.50 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 37 | 0.50 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 6.6 | 0.55 | Binding ≤ 1μM |
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 37 | 0.50 | Binding ≤ 10μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 6.6 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
