| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2011 | 43 | No |
Popular Name: Azelnidipine Azelnidipine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123524-52-7 , [123524-52-7]
| 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) | 5.72 | 14.94 | -32.01 | 1 | 10 | -1 | 144 | 581.649 | 10 | ↓ |
| Ref Reference (pH 7) | 5.72 | 14.85 | -31 | 1 | 10 | -1 | 144 | 581.649 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.72 | 17.46 | -45.92 | 2 | 10 | 0 | 145 | 582.657 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.72 | 17.38 | -41.76 | 2 | 10 | 0 | 145 | 582.657 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | Antihypertensive | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 2900 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 2900 | 0.18 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
