| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 19 | Yes |
Popular Name: 6-chloro-N-(4-imidazol-1-ylbutyl)pyridine-3-carboxamide 6-chloro-N-(4-imidazol-1-ylbutyl…
| 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) | 1.14 | 6.36 | -16.46 | 1 | 5 | 0 | 60 | 278.743 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 6.84 | -42.93 | 2 | 5 | 1 | 61 | 279.751 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS-1-E | Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_RAT | P49430 | Thromboxane-A Synthase, Rat | 8000 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
