| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 36 | Yes |
Popular Name: 2-(Phenoxymethyl)-4-[3-(1-piperidinyl)propoxy]-1-[3-(4-piperidinyl)propyl]-1H-benzimidazole 2-(Phenoxymethyl)-4-[3-(1-piperi…
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CAS Number: 226416-58-6
| 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) | 5.40 | 15.69 | -90.68 | 3 | 6 | 2 | 57 | 492.708 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 5.40 | 16.1 | -144.67 | 4 | 6 | 3 | 59 | 493.716 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R-1-E | Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 4.5 | 0.32 | Binding ≤ 1μM |
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 4.5 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
