| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 49 | No |
Popular Name: [hexaacetoxy-(acetoxymethyl)-hydroxy-dimethyl-BLAHyl]methyl [hexaacetoxy-(acetoxymethyl)-hyd…
| 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) | 1.11 | 13.93 | -33.67 | 1 | 18 | 0 | 240 | 702.659 | 18 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MDR1-3-E | P-glycoprotein 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 6970 | 0.15 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MDR1_HUMAN | P08183 | P-glycoprotein 1, Human | 6970 | 0.15 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| ABC-family proteins mediated transport |
