| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 45 | No |
1,2,6-tri-O-gallose-beta-D-glucopyranose; 1,2,6-trikis-O-galloyl-beta-D-glucose; CPD-8947
1,2,6-tri-O-galloyl-beta-D-glucose
1,2,6-Trigalloylglucose; 1-O,2-O,6-O-Trigalloyl-beta-D-glucose; 79886-49-0; C04360
| 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) | 0.86 | -16.67 | -32.09 | 11 | 18 | 0 | 310 | 636.471 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1-3-E | Squalene Monooxygenase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 630 | 0.19 | Binding ≤ 10μM |
| A3EZI9-1-V | Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral | Viruses | 1890 | 0.18 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1_RAT | P52020 | Squalene Monooxygenase, Rat | 630 | 0.19 | Binding ≤ 1μM |
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 1890 | 0.18 | Binding ≤ 10μM |
| ERG1_RAT | P52020 | Squalene Monooxygenase, Rat | 630 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
No pre-computed analogs available. Try a structural similarity search.