| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 11 | Yes |
Popular Name: 2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine 2-(1-Isopropyl-1H-imidazol-4-yl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 479408-51-0 , [479408-51-0]
| 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) | -0.04 | 3.79 | -43.08 | 3 | 3 | 1 | 45 | 154.237 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 4.25 | -97.6 | 4 | 3 | 2 | 47 | 155.245 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-12-O | Plasmodium Falciparum (cluster #12 Of 22), Other | Other | 9600 | 0.64 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 9600 | 0.64 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.