| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 17 | Yes |
None
| 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) | -1.36 | -2.66 | -51.32 | 5 | 7 | 1 | 112 | 354.124 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.36 | -3.08 | -12.92 | 4 | 7 | 0 | 110 | 353.116 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | -5.36 | -68.78 | 4 | 7 | 0 | 115 | 353.116 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-1-O | Human Herpesvirus 1 (cluster #1 Of 2), Other | Other | 5000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 5000 | 0.44 | Binding ≤ 10μM |
