| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2010 | 37 | 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) | 6.67 | 20.74 | -25.71 | 0 | 2 | 1 | 9 | 523.791 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102117-1-O | Transmissible Gastroenteritis Virus (cluster #1 Of 1), Other | Other | 1800 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102117 | Z102117 | Transmissible Gastroenteritis Virus | 1800 | 0.22 | Functional ≤ 10μM |
