| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 50 | No |
Popular Name: ethyl ethyl
| 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) | 6.49 | 19.46 | -19.67 | 0 | 8 | 0 | 86 | 705.328 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.49 | 20.33 | -36.37 | 1 | 8 | 1 | 87 | 706.336 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 6.49 | 22.59 | -111.61 | 2 | 8 | 2 | 88 | 707.344 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR-1-E | Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 39 | 0.21 | Functional ≤ 10μM |
| THAS-1-E | Thromboxane-A Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 68 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR_MOUSE | Q62035 | Platelet Activating Factor Receptor, Mouse | 39 | 0.21 | Functional ≤ 10μM |
| PTAFR_RAT | P46002 | Platelet Activating Factor Receptor, Rat | 39 | 0.21 | Functional ≤ 10μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 39 | 0.21 | Functional ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 68 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| Eicosanoids | |
| G alpha (q) signalling events | |
| Interferon gamma signaling | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
