| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 20 | No |
Popular Name: 3-amino-6-chloro-N-(diaminomethylene)-5-(isobutyl-methyl-amino)-pyrazine-2-carboxamide 3-amino-6-chloro-N-(diaminomethy…
| 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) | 0.37 | 2.07 | -9.46 | 6 | 8 | 0 | 137 | 299.766 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 2 | -39.77 | 5 | 8 | -1 | 134 | 298.758 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 3.58 | -30.94 | 7 | 8 | 1 | 136 | 300.774 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.38 | Functional ≤ 10μM |
