| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 31 | No |
Popular Name: 2-(2,4-difluorophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one 2-(2,4-difluorophenyl)-5-[(Z)-he…
| 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) | 8.99 | 17.6 | -10.32 | 0 | 3 | 0 | 33 | 432.599 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THIL-1-E | Acetyl-CoA Acetyltransferase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THIL_HUMAN | P24752 | Acetyl-CoA Acetyltransferase, Mitochondrial, Human | 5000 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Branched-chain amino acid catabolism | |
| Synthesis of Ketone Bodies | |
| Utilization of Ketone Bodies |
