| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 11 | Yes |
Popular Name: 1H-Imidazole-4-ethanamine, 2-(1-methylethyl)- (9CI) 1H-Imidazole-4-ethanamine, 2-(1-…
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CAS Number: 57118-67-9
| 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) | 0.29 | 1.82 | -43.91 | 4 | 3 | 1 | 56 | 154.237 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 2.2 | -96.91 | 5 | 3 | 2 | 58 | 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 | 4800 | 0.68 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 4700 | 0.68 | Functional ≤ 10μM |
