| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 18 | No |
Popular Name: LS-187575 LS-187575
LS-186925; SQ 28,603; SQ 28603; beta-Alanine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-
None
| 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) | 1.43 | -1.12 | -48.43 | 1 | 4 | -1 | 69 | 266.342 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | -2.08 | -99.02 | 1 | 4 | -2 | 69 | 265.334 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEP_HUMAN | P08473 | Neprilysin, Human | 9.4 | 0.62 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 9.4 | 0.62 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
