| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 30 | No |
Popular Name: 3-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]propanoic 3-[2-(2-carboxyethyl)-4-dodecano…
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| 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) | 5.90 | 16.87 | -103.94 | 0 | 6 | -2 | 102 | 419.562 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA-1-E | LDL-associated Phospholipase A2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA_BOVIN | Q28017 | LDL-associated Phospholipase A2, Bovin | 8000 | 0.24 | Functional ≤ 10μM |
