In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 28 | 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) | 3.39 | 4.79 | -13.92 | 3 | 7 | 0 | 100 | 383.448 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50609-1-O | Simian Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 4150 | 0.27 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50609 | Z50609 | Simian Immunodeficiency Virus | 4150 | 0.27 | Functional ≤ 10μM |