| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
| 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) | 1.41 | 7.72 | -10.18 | 0 | 4 | 0 | 51 | 213.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 8.24 | -40.33 | 1 | 4 | 1 | 52 | 214.248 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-3-E | Thromboxane-A Synthase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3500 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 3500 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
