In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 11 | No |
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) | 0.50 | 1.03 | -22.52 | 2 | 6 | 0 | 97 | 155.113 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50725-2-O | Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other | Other | 2300 | 0.72 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 2000 | 0.73 | Functional ≤ 10μM |