| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 39 | No |
Popular Name: tetrahydroxy-dimethyl-(5-oxo-2H-furan-3-yl)BLAHcarbaldehyde tetrahydroxy-dimethyl-(5-oxo-2H-…
| 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) | 0.23 | 2.71 | -20.88 | 4 | 10 | 0 | 152 | 548.629 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 602 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 602 | 0.22 | Functional ≤ 10μM |
