In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2008 | 18 | 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) | 3.01 | 10.08 | -7.45 | 0 | 5 | 0 | 64 | 243.266 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 10.51 | -39.16 | 1 | 5 | 1 | 65 | 244.274 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50468-1-O | Giardia Intestinalis (cluster #1 Of 4), Other | Other | 162 | 0.53 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50468 | Z50468 | Giardia Intestinalis | 162 | 0.53 | Functional ≤ 10μM |