| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 28 | Yes |
| 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) | 4.11 | 10.52 | -8.63 | 1 | 5 | 0 | 73 | 390.52 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | antihyperlipidemic, HMGCoA reductase inhibitor | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH-1-E | HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 28 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 28.4 | 0.38 | Binding ≤ 1μM |
| HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 28.4 | 0.38 | Binding ≤ 10μM |
