In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 23 | Yes |
Popular Name: 1-(4-Fluoro-benzyl)-2-piperazin-1-yl-1h-benzoimidazole 1-(4-Fluoro-benzyl)-2-piperazin-…
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CAS Number: 142617-98-9
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) | 2.98 | 9.63 | -51.94 | 2 | 4 | 1 | 38 | 311.384 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A-4-E | Serotonin 3a (5-HT3a) Receptor (cluster #4 Of 5), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 5.21 | 0.50 | Binding ≤ 1μM |
5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 5.21 | 0.50 | Binding ≤ 10μM |
Description | Species |
---|---|
Ligand-gated ion channel transport |
No pre-computed analogs available. Try a structural similarity search.