| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2006 | 12 | No |
Popular Name: 4-butoxy-4-oxobut-2-enoic acid 4-butoxy-4-oxobut-2-enoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16062-88-7 , 61537-83-5 , 925-21-3
| 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) | 1.38 | 1.87 | -42.49 | 0 | 4 | -1 | 66 | 171.172 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 105 - 108 | Enamine Building Blocks |
| MP | 105...108 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-4-E | HM74 Nicotinic Acid GPCR (cluster #4 Of 4), Eukaryotic | Eukaryotes | 760 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 760 | 0.71 | Binding ≤ 1μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 760 | 0.71 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
