In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 17 | Yes |
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) | 4.61 | 8.11 | -46.14 | 3 | 1 | 1 | 28 | 236.423 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50418-3-O | Trypanosoma Brucei (cluster #3 Of 6), Other | Other | 1320 | 0.48 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50418 | Z50418 | Trypanosoma Brucei | 1320 | 0.48 | Functional ≤ 10μM |