| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 30 | 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) | 7.23 | 10.49 | -5.89 | 2 | 2 | 0 | 40 | 418.706 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH-1-E | HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 300 | 0.30 | Binding ≤ 1μM |
| HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 300 | 0.30 | Binding ≤ 10μM |
