| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 42 | No |
Popular Name: [diacetoxy-hydroxy-trimethyl-oxo-(3-pyridyl)BLAHyl]methyl [diacetoxy-hydroxy-trimethyl-oxo…
None
| 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) | 3.65 | 12.05 | -21.05 | 1 | 11 | 0 | 151 | 583.634 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 12.48 | -58.02 | 2 | 11 | 1 | 153 | 584.642 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 89 | 0.24 | Binding ≤ 10μM |
| THIL-1-E | Acetyl-CoA Acetyltransferase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THIL_HUMAN | P24752 | Acetyl-CoA Acetyltransferase, Mitochondrial, Human | 58 | 0.24 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 89 | 0.24 | Binding ≤ 1μM |
| THIL_HUMAN | P24752 | Acetyl-CoA Acetyltransferase, Mitochondrial, Human | 58 | 0.24 | Binding ≤ 10μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 89 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Branched-chain amino acid catabolism | |
| Synthesis of Ketone Bodies | |
| Utilization of Ketone Bodies |
