| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 29 | Yes |
Popular Name: methyl methyl
| 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) | 6.43 | 15.03 | -13.02 | 0 | 4 | 0 | 44 | 422.937 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.43 | 15.46 | -36.85 | 1 | 4 | 1 | 45 | 423.945 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9300 | 0.24 | Binding ≤ 10μM |
| DRD2-7-E | Dopamine D2 Receptor (cluster #7 Of 24), Eukaryotic | Eukaryotes | 1100 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1100 | 0.29 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 9300 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
