| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 20 | No |
Popular Name: MDL-860 MDL-860
| 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) | 4.62 | 3.46 | -8.43 | 0 | 5 | 0 | 78 | 309.108 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50617-2-O | Human Coxsackievirus B3 (cluster #2 Of 2), Other | Other | 6500 | 0.36 | Functional ≤ 10μM |
| Z50666-1-O | Coxsackievirus (cluster #1 Of 1), Other | Other | 5840 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50666 | Z50666 | Coxsackievirus | 5840 | 0.37 | Functional ≤ 10μM |
| Z50617 | Z50617 | Human Coxsackievirus B3 | 6500 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.