| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 22 | No |
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) | -0.37 | 11.22 | -34.39 | 1 | 3 | 1 | 33 | 286.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 10.88 | -24.16 | 0 | 3 | 0 | 31 | 285.35 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497-1-O | Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other | Other | 250 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 250 | 0.42 | Functional ≤ 10μM |
