In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 23 | Yes |
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) | -0.10 | 5.56 | -61.11 | 7 | 8 | 0 | 153 | 328.413 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z101822-1-O | H3N2 Subtype (cluster #1 Of 2), Other | Other | 140 | 0.42 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z101822 | Z101822 | H3N2 Subtype | 140 | 0.42 | Functional ≤ 10μM |