| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 29 | Yes |
Popular Name: 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-5-(1H-tetrazol-5-ylmethyl)-1,3-dihydropyrrolizine 6-(4-chlorophenyl)-2,2-dimethyl-…
| 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) | 6.10 | 13.02 | -42.18 | 0 | 5 | -1 | 58 | 402.909 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 6.10 | 12.94 | -10.25 | 1 | 5 | 0 | 59 | 403.917 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGES-1-E | Prostaglandin E Synthase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3900 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGES_HUMAN | O14684 | Prostaglandin E Synthase, Human | 3900 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
