| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 26 | Yes |
Popular Name: 2-[4-(5-amino-3-butyl-isoxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol 2-[4-(5-amino-3-butyl-isoxazol-4…
| 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) | 4.85 | 4.7 | -9.08 | 3 | 4 | 0 | 72 | 382.304 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.85 | 5.24 | -38.9 | 2 | 4 | -1 | 75 | 381.296 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC-1-E | Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 670 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC_HUMAN | O95822 | Malonyl-CoA Decarboxylase, Human | 670 | 0.33 | Binding ≤ 1μM |
| DCMC_HUMAN | O95822 | Malonyl-CoA Decarboxylase, Human | 670 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Peroxisomal lipid metabolism |
