In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 23 | Yes |
Popular Name: (4-isopropylpiperazin-1-yl)-[5-(morpholinomethyl)-3-thienyl]methanone (4-isopropylpiperazin-1-yl)-[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) | 0.95 | 3.33 | -9.84 | 0 | 5 | 0 | 36 | 337.489 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.95 | 5.74 | -42.42 | 1 | 5 | 1 | 37 | 338.497 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 8.01 | -91.47 | 2 | 5 | 2 | 38 | 339.505 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 37 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 37 | 0.45 | Binding ≤ 1μM |
HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 37 | 0.45 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
Histamine receptors |