| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 22 | Yes |
Popular Name: 5-bromo-6-chloro-N-(8-quinolyl)pyridine-3-sulfonamide 5-bromo-6-chloro-N-(8-quinolyl)p…
| 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) | 3.35 | 4.12 | -42.3 | 0 | 5 | -1 | 74 | 397.661 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 4.61 | -31.59 | 1 | 5 | 0 | 75 | 398.669 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101865-1-O | Leishmania Chagasi (cluster #1 Of 1), Other | Other | 560 | 0.40 | Functional ≤ 10μM |
| Z50457-2-O | Leishmania Amazonensis (cluster #2 Of 3), Other | Other | 2250 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 2250 | 0.36 | Functional ≤ 10μM |
| Z101865 | Z101865 | Leishmania Chagasi | 560 | 0.40 | Functional ≤ 10μM |
