| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 35 | No |
Popular Name: 8-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic 8-[2-(2-carboxyethyl)-4-dodecano…
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) | 8.18 | 20.8 | -98.98 | 0 | 6 | -2 | 102 | 489.697 | 22 | ↓ |
| Lo Low (pH 4.5-6) | 8.18 | 18.82 | -49.99 | 1 | 6 | -1 | 99 | 490.705 | 22 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA-1-E | LDL-associated Phospholipase A2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3600 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAFA_BOVIN | Q28017 | LDL-associated Phospholipase A2, Bovin | 3600 | 0.22 | Functional ≤ 10μM |
