| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 26 | Yes |
Popular Name: 4-[4-(4-amidino-2-chloro-phenoxy)butoxy]-3-chloro-benzamidine 4-[4-(4-amidino-2-chloro-phenoxy…
| 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) | 2.20 | -4.85 | -78.51 | 8 | 6 | 2 | 121 | 397.306 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-1-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other | Other | 19 | 0.42 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 2130 | 0.31 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 42 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 2130 | 0.31 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 19 | 0.42 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 42 | 0.40 | Functional ≤ 10μM |
