| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 31 | No |
Popular Name: KRX-0401 KRX-0401
| 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) | 4.24 | 19.34 | -56.13 | 0 | 5 | 0 | 59 | 461.668 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417-1-O | Leishmania Infantum (cluster #1 Of 4), Other | Other | 4200 | 0.24 | Functional ≤ 10μM |
| Z50459-4-O | Leishmania Donovani (cluster #4 Of 8), Other | Other | 3020 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 3020 | 0.25 | Functional ≤ 10μM |
| Z50417 | Z50417 | Leishmania Infantum | 4200 | 0.24 | Functional ≤ 10μM |
