In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 19 | 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) | 3.08 | 6.34 | -22.43 | 1 | 6 | 0 | 87 | 275.289 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50459-2-O | Leishmania Donovani (cluster #2 Of 8), Other | Other | 6540 | 0.38 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50459 | Z50459 | Leishmania Donovani | 6540 | 0.38 | Functional ≤ 10μM |