| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 32 | 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) | 5.98 | 8.46 | -12.06 | 1 | 5 | 0 | 53 | 470.454 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.98 | 8.94 | -43.99 | 0 | 5 | -1 | 56 | 469.446 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC-1-E | Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 73 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC_HUMAN | O95822 | Malonyl-CoA Decarboxylase, Human | 73 | 0.31 | Binding ≤ 1μM |
| DCMC_HUMAN | O95822 | Malonyl-CoA Decarboxylase, Human | 73 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Peroxisomal lipid metabolism |
