| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 12 | 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) | -0.17 | 2.37 | -11.91 | 4 | 5 | 0 | 84 | 166.184 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-5-O | Human Herpesvirus 1 (cluster #5 Of 5), Other | Other | 2 | 1.01 | Functional ≤ 10μM |
| Z50612-2-O | Moloney Murine Sarcoma Virus (cluster #2 Of 2), Other | Other | 1 | 1.05 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 2.40964 | 1.01 | Functional ≤ 10μM |
| Z50612 | Z50612 | Moloney Murine Sarcoma Virus | 0.801205 | 1.06 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.