| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 23 | 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) | 4.19 | 4.25 | -4.41 | 0 | 7 | 0 | 94 | 355.7 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102116-1-O | Toxoplasma Gondii RH (cluster #1 Of 2), Other | Other | 8000 | 0.31 | Functional ≤ 10μM |
| Z50424-1-O | Cryptosporidium Parvum (cluster #1 Of 2), Other | Other | 1810 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424 | Z50424 | Cryptosporidium Parvum | 1810 | 0.35 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 1000 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.