| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 16 | Yes |
Popular Name: 5-Phenethyl-1H-pyrazole-3-carboxylic acid 5-Phenethyl-1H-pyrazole-3-carbox…
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CAS Number: 595610-56-3
| 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) | 2.35 | 6.68 | -42.16 | 1 | 4 | -1 | 69 | 215.232 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-2-E | HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1570 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_RAT | Q80Z39 | HM74 Nicotinic Acid GPCR, Rat | 1570 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
