| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2009 | 22 | Yes |
Popular Name: (4-isopropylpiperazin-1-yl)-[2-[(2-methoxyethylamino)methyl]thiazol-4-yl]methanone (4-isopropylpiperazin-1-yl)-[2-[…
| 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) | 0.38 | 2.77 | -51.23 | 2 | 6 | 1 | 62 | 327.474 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 3.73 | -37.6 | 2 | 6 | 1 | 59 | 327.474 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 1.37 | -8.98 | 1 | 6 | 0 | 58 | 326.466 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 5.14 | -98.55 | 3 | 6 | 2 | 63 | 328.482 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 356 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 356 | 0.41 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 356 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
