In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 20 | Yes |
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) | 3.83 | 4.86 | -11.01 | 2 | 3 | 0 | 45 | 399.082 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 10000 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50600 | Z50600 | Vaccinia Virus | 10000 | 0.35 | Functional ≤ 10μM |