| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2011 | 22 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[1-(4-pyridylmethyl)-4-piperidyl]methanone (4-methylpiperazin-1-yl)-[1-(4-p…
| 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) | 0.47 | 6.03 | -52.88 | 1 | 5 | 1 | 41 | 303.43 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 3.77 | -11.34 | 0 | 5 | 0 | 40 | 302.422 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 8.38 | -105.53 | 2 | 5 | 2 | 42 | 304.438 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-3-E | Histamine H3 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 355 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_CAVPO | Q9JI35 | Histamine H3 Receptor, Guinea Pig | 355 | 0.41 | Binding ≤ 1μM |
| HRH3_CAVPO | Q9JI35 | Histamine H3 Receptor, Guinea Pig | 355 | 0.41 | Binding ≤ 10μM |
