| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 1-(4-chlorophenyl)-1H-pyrrole-2,5-dione 1-(4-chlorophenyl)-1H-pyrrole-2,…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1631-29-4 , 209159-28-4 , [1631-29-4] , [209159-28-4]
1-(4-Chloro-phenyl)-pyrrole-2,5-dione
1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
| 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) | 1.74 | 5.37 | -8.09 | 0 | 3 | 0 | 39 | 207.616 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 110 - 112 | KeyOrganics |
| MP | 110-112° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL-2-E | Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 7240 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 7240 | 0.51 | 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.