| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 19 | Yes |
Popular Name: 2-ethyl-4-(pyridin-3-yl)phthalazin-1(2h)-one 2-ethyl-4-(pyridin-3-yl)phthalaz…
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CAS Number: 137381-66-9
| 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) | 2.23 | 0.53 | -12.32 | 0 | 4 | 0 | 47 | 251.289 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-2-E | Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1700 | 0.43 | Binding ≤ 10μM |
| Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 1600 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_RAT | P49430 | Thromboxane-A Synthase, Rat | 1300 | 0.43 | Binding ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 1600 | 0.43 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 1318.25674 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
No pre-computed analogs available. Try a structural similarity search.