In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 33 | No |
Popular Name: 2-[(Z)-4-(5-dec-1-ynyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl]isoindoline-1,3-dione 2-[(Z)-4-(5-dec-1-ynyl-2,4-dioxo…
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) | 5.21 | 13 | -18.52 | 1 | 7 | 0 | 94 | 447.535 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.67 | 10.45 | -58.97 | 0 | 7 | -1 | 97 | 446.527 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z101822-1-O | H3N2 Subtype (cluster #1 Of 2), Other | Other | 2500 | 0.24 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z101822 | Z101822 | H3N2 Subtype | 2500 | 0.24 | Functional ≤ 10μM |