| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 22 | Yes |
Popular Name: LS-193764 LS-193764
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58872-39-2 , [58872-39-2]
(S)-1-((S)-1-((S)-2-Amino-3-methylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
| 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) | -2.43 | 4.95 | -91.21 | 3 | 7 | 0 | 108 | 311.382 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 9000 | 0.32 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.