| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2006 | 11 | No |
Popular Name: Monoisopropyl FuMarate Monoisopropyl FuMarate
Find On: PubMed — Wikipedia — Google
CAS Number: 7529-87-5
| 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) | 0.68 | 1.93 | -43.43 | 0 | 4 | -1 | 66 | 157.145 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 48 | TCI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-4-E | HM74 Nicotinic Acid GPCR (cluster #4 Of 4), Eukaryotic | Eukaryotes | 4200 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 4200 | 0.68 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
