| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 16 | No |
Popular Name: (5'S)-5'-hydroxy-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one (5'S)-5'-hydroxy-2',5',7'-trimet…
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) | 2.09 | 6.46 | -9.65 | 1 | 2 | 0 | 37 | 216.28 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0565519A1; EP0565519B1; EP0683762A1; EP0683762B1; EP0912535A1; EP0914116A1; EP0914116B1; EP0915819A1; EP0918776A1; EP1054998A1; US5439936; US5523490; US5563176; US5723632; US5795909; US5856580; US5919815; US5932553; US6013646; US6025328; US6069283; US60 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGR1-1-E | NADP-dependent Leukotriene B4 12-hydroxydehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.46 | Functional ≤ 10μM |
| Z80936-2-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #2 Of 4), Other | Other | 5000 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 5000 | 0.46 | Functional ≤ 10μM |
| PTGR1_RAT | P97584 | NADP-dependent Leukotriene B4 12-hydroxydehydrogenase, Rat | 5000 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
