In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 20 | Yes |
None
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) | 3.54 | 7.42 | -29.44 | 4 | 3 | 1 | 52 | 284.77 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 6.96 | -7.43 | 3 | 3 | 0 | 51 | 283.762 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 359 | 0.45 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 158 | 0.48 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.