| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 37 | No |
Popular Name: methyl-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-BLAHdione methyl-[3,4,5-trihydroxy-6-(hydr…
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| 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) | 1.56 | 1.97 | -21.4 | 5 | 10 | 0 | 150 | 501.495 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-1-O | B16 (Melanoma Cells) (cluster #1 Of 7), Other | Other | 5400 | 0.20 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 3000 | 0.21 | Functional ≤ 10μM |
| Z80362-6-O | P388 (Lymphoma Cells) (cluster #6 Of 8), Other | Other | 6000 | 0.20 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 5000 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035 | Z80035 | B16 (Melanoma Cells) | 3300 | 0.21 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 3000 | 0.21 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 6000 | 0.20 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 5000 | 0.20 | Functional ≤ 10μM |
