| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: ethyl ethyl
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) | 2.12 | 7.25 | -14.99 | 1 | 5 | 0 | 59 | 243.266 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 7.68 | -30.57 | 2 | 5 | 1 | 61 | 244.274 | 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 | 2100 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 2100 | 0.44 | Functional ≤ 10μM |
