| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 29 | No |
Popular Name: (1E)-1-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-3,3-diphenyl-thiourea (1E)-1-(1,1-dioxo-2-phenyl-1,4,2…
| 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) | 5.53 | 13.18 | -17.31 | 0 | 5 | 0 | 53 | 439.587 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50640-1-O | Japanese Encephalitis Virus (cluster #1 Of 1), Other | Other | 7000 | 0.25 | Functional ≤ 10μM |
| Z50641-1-O | West Nile Virus (cluster #1 Of 2), Other | Other | 700 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50640 | Z50640 | Japanese Encephalitis Virus | 7000 | 0.25 | Functional ≤ 10μM |
| Z50641 | Z50641 | West Nile Virus | 700 | 0.30 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.