| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 35 | No |
1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine
1-O-Stearyl-2-O-methyl-rac-glycero-3-phosphocholine
| 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) | 3.81 | 18.7 | -48.88 | 0 | 7 | 0 | 77 | 523.736 | 27 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-3-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other | Other | 260 | 0.26 | Functional ≤ 10μM |
| Z80678-1-O | AMML Cell Line (cluster #1 Of 1), Other | Other | 1350 | 0.23 | Functional ≤ 10μM |
| Z80777-1-O | CML/BC Cell Line (cluster #1 Of 1), Other | Other | 250 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80678 | Z80678 | AMML Cell Line | 1350 | 0.23 | Functional ≤ 10μM |
| Z80777 | Z80777 | CML/BC Cell Line | 250 | 0.26 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 260 | 0.26 | Functional ≤ 10μM |
