| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 41 | No |
| 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) | 8.29 | 12.34 | -8.66 | 1 | 4 | 0 | 42 | 597.449 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CETP-1-E | Cholesteryl Ester Transfer Protein (cluster #1 Of 3), Eukaryotic | Eukaryotes | 45 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CETP_HUMAN | P11597 | Cholesteryl Ester Transfer Protein, Human | 300 | 0.22 | Binding ≤ 1μM |
| CETP_HUMAN | P11597 | Cholesteryl Ester Transfer Protein, Human | 300 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| HDL-mediated lipid transport | |
| LDL-mediated lipid transport |
