| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 37 | No |
Popular Name: 3-[4-[(2S)-3-pentoxy-2-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one 3-[4-[(2S)-3-pentoxy-2-tetradeco…
| 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) | 9.15 | 15.5 | -47.33 | 0 | 7 | -1 | 90 | 517.731 | 24 | ↓ |
| Lo Low (pH 4.5-6) | 8.99 | 18.05 | -11.25 | 1 | 7 | 0 | 87 | 518.739 | 24 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA2GA-1-E | Phospholipase A2, Membrane Associated (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8300 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PA2GA_HUMAN | P14555 | Phospholipase A2 Group IIA, Human | 8300 | 0.19 | 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 |
