| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 15 | 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) | 1.80 | 9.85 | -64.03 | 1 | 4 | 0 | 59 | 210.277 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 9.33 | -49.01 | 0 | 4 | -1 | 58 | 209.269 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 7.87 | -35.6 | 2 | 4 | 1 | 56 | 211.285 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-3-E | Thromboxane-A Synthase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 32 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 32 | 0.70 | Binding ≤ 1μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 32 | 0.70 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
