| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 30 | Yes |
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) | 5.94 | 7.83 | -10.05 | 3 | 5 | 0 | 87 | 408.494 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.94 | 8.82 | -51.56 | 2 | 5 | -1 | 90 | 407.486 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA21B-2-E | Phospholipase A2 Group 1B (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA21B_HUMAN | P04054 | Phospholipase A2 Group 1B, Human | 6000 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodelling of PC | |
| Acyl chain remodelling of PE | |
| Acyl chain remodelling of PG | |
| Acyl chain remodelling of PI | |
| Acyl chain remodelling of PS | |
| Synthesis of PA |
