| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 21 | Yes |
Popular Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-5-iodo-indoline-2,3-dione 1-[(2-chloro-4-fluoro-phenyl)met…
| 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) | 4.32 | 9.42 | -13.48 | 0 | 3 | 0 | 39 | 415.589 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| R1A-1-V | SARS Coronavirus 3C-like Proteinase (cluster #1 Of 2), Viral | Viruses | 9400 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| R1A_CVHSA | P0C6U8 | SARS Coronavirus 3C-like Proteinase, Cvhsa | 9400 | 0.34 | Binding ≤ 10μM |
