| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 1-(2-iodophenyl)-3-pyrroline-2,5-quinone 1-(2-iodophenyl)-3-pyrroline-2,5…
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CAS Number: 216865-38-2
| 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) | 2.31 | 1.1 | -10.82 | 0 | 3 | 0 | 39 | 299.067 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL-2-E | Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 5010 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 5010 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| Arachidonate production from DAG | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis |
No pre-computed analogs available. Try a structural similarity search.