| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 24 | Yes |
Popular Name: 5-[5-[2-(4-carbamimidoylphenyl)ethynyl]-2-furyl]furan-2-carboxamidine 5-[5-[2-(4-carbamimidoylphenyl)e…
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) | 0.70 | 5.44 | -76.87 | 8 | 6 | 2 | 130 | 320.352 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-6-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other | Other | 14 | 0.46 | Functional ≤ 10μM |
| Z50725-2-O | Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other | Other | 42 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 14.1 | 0.46 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 42 | 0.43 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
