| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 26 | No |
Popular Name: 2-[4-[5-amino-3-(trifluoromethyl)isoxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol 2-[4-[5-amino-3-(trifluoromethyl…
| 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) | 4.13 | 2.31 | -8.85 | 3 | 4 | 0 | 72 | 394.193 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 2.82 | -37.22 | 2 | 4 | -1 | 75 | 393.185 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC-1-E | Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3330 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DCMC_HUMAN | O95822 | Malonyl-CoA Decarboxylase, Human | 3330 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Peroxisomal lipid metabolism |
