| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 18 | Yes |
Popular Name: benzyl 2,6-dimethylpiperazine-1-carboxylate hydrochloride benzyl 2,6-dimethylpiperazine-1-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1187931-10-7 , 885278-89-7
| 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) | 1.74 | 6.08 | -48.15 | 2 | 4 | 1 | 46 | 249.334 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.77 | -5.77 | 1 | 4 | 0 | 42 | 248.326 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 146 - 148 | Enamine Building Blocks |
| MP | 146...148 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 83 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 83 | 0.55 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 83 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Serotonin receptors |
