| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2008 | 35 | No |
| 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) | 4.38 | 12.75 | -55.51 | 3 | 9 | 1 | 122 | 477.541 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| R1AB-1-V | Replicase Polyprotein 1ab (cluster #1 Of 1), Viral | Viruses | 9110 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| R1AB_CVHSA | P0C6X7 | Replicase Polyprotein 1ab, Cvhsa | 9110 | 0.20 | Binding ≤ 10μM |
