In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 42 | 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) | 3.61 | 7.57 | -22.63 | 3 | 11 | 0 | 147 | 591.02 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Q9N6S8-1-E | Falcipain 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8250 | 0.17 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 8250 | 0.17 | Binding ≤ 10μM |