| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 15 | No |
Popular Name: IG-8801 IG-8801
| 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) | -2.50 | -3.35 | -173.27 | 3 | 8 | -2 | 148 | 261.107 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.50 | -4.49 | -96.88 | 4 | 8 | -1 | 145 | 262.115 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-6-O | Trypanosoma Brucei (cluster #6 Of 6), Other | Other | 5400 | 0.49 | Functional ≤ 10μM |
| Z50725-4-O | Trypanosoma Brucei Rhodesiense (cluster #4 Of 7), Other | Other | 5400 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 5400 | 0.49 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 5400 | 0.49 | Functional ≤ 10μM |
