| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 17 | 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) | -0.80 | -10.03 | -12.45 | 3 | 7 | 0 | 104 | 354.1 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antiviral | MicroSource Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3RLP8-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 2000 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3RLP8_CHV1 | A3RLP8 | Thymidine Kinase, Chv1 | 2000 | 0.47 | Binding ≤ 10μM |
