In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 28 | Yes |
Popular Name: 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-4-piperidyl]-methyl-amino]ethanol 2-[[1-[1-[(4-fluorophenyl)methyl…
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) | 3.47 | 12.05 | -87.68 | 3 | 5 | 2 | 47 | 384.499 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
KCNH2-3-E | HERG (cluster #3 Of 5), Eukaryotic | Eukaryotes | 116 | 0.35 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2_HUMAN | Q12809 | HERG, Human | 116 | 0.35 | Binding ≤ 1μM |
HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.2 | 0.42 | Binding ≤ 1μM |
KCNH2_HUMAN | Q12809 | HERG, Human | 116 | 0.35 | Binding ≤ 10μM |
HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.2 | 0.42 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Histamine receptors | |
Voltage gated Potassium channels |