| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 28 | Yes |
Popular Name: 3-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propanoic 3-[2-(4-chlorophenyl)-6,6-dimeth…
| 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) | 6.42 | 15.79 | -48.5 | 0 | 3 | -1 | 45 | 392.906 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGES-1-E | Prostaglandin E Synthase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGES_HUMAN | O14684 | Prostaglandin E Synthase, Human | 7200 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
