| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: 3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(4-methylphenyl)-5H-indeno[1,2…
Find On: PubMed — Wikipedia — Google
CAS Number: 300843-87-2
| 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) | 4.13 | 9.03 | -9.6 | 0 | 3 | 0 | 43 | 272.307 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 180 - 182 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPGDS-1-E | Hematopoietic Prostaglandin D Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3800 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPGDS_HUMAN | O60760 | Hematopoietic Prostaglandin D Synthase, Human | 3800 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glutathione conjugation | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
