| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2011 | 15 | Yes |
Popular Name: (5S)-5-[(1R)-1-methylpropyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic (5S)-5-[(1R)-1-methylpropyl]-1,4…
| 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) | 2.51 | 5.93 | -45.2 | 1 | 4 | -1 | 69 | 207.253 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-2-E | HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1100 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_MOUSE | Q9EP66 | HM74 Nicotinic Acid GPCR, Mouse | 1100 | 0.56 | Binding ≤ 10μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 1300 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
