In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 21 | 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) | 0.16 | 10.66 | -31.38 | 1 | 3 | 1 | 33 | 280.395 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.54 | 10.31 | -21.86 | 0 | 3 | 0 | 31 | 279.387 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z100497-1-O | Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other | Other | 1900 | 0.38 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 1900 | 0.38 | Functional ≤ 10μM |