In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 19 | Yes |
Popular Name: 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol 2-[(2,5-dihydroxyphenyl)methoxym…
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) | 2.36 | -2.73 | -17.61 | 4 | 5 | 0 | 90 | 262.261 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 5500 | 0.39 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 5500 | 0.39 | Functional ≤ 10μM |