| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 14 | Yes |
Popular Name: 7-imidazol-1-ylheptanoic 7-imidazol-1-ylheptanoic
| 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) | 1.30 | 9.07 | -62.82 | 1 | 4 | 0 | 59 | 196.25 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 8.55 | -47.47 | 0 | 4 | -1 | 58 | 195.242 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 7.09 | -35.69 | 2 | 4 | 1 | 56 | 197.258 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-3-E | Thromboxane-A Synthase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 39 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 39 | 0.74 | Binding ≤ 1μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 39 | 0.74 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
