| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 20 | Yes |
| 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) | 3.53 | 4.83 | -10.66 | 2 | 4 | 0 | 71 | 333.137 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 5.52 | -56.13 | 1 | 4 | -1 | 73 | 332.129 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 5.62 | -42.07 | 1 | 4 | -1 | 73 | 332.129 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424-1-O | Cryptosporidium Parvum (cluster #1 Of 2), Other | Other | 400 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424 | Z50424 | Cryptosporidium Parvum | 400 | 0.45 | Functional ≤ 10μM |
