| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 33 | No |
Popular Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2-hydroxy-2,2-diphenyl-acetamide N-[1-(cyclooctylmethyl)-1-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) | 1.15 | 12.75 | -40.84 | 2 | 4 | 1 | 49 | 449.659 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR1-1-E | C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR1_HUMAN | P32246 | C-C Chemokine Receptor Type 1, Human | 2100 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
