| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 20 | Yes |
Popular Name: 1-[(4-chloro-2-fluoro-phenyl)methyl]-4-pyrrolidin-1-yl-piperidine 1-[(4-chloro-2-fluoro-phenyl)met…
None
| 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) | 3.33 | 8.65 | -37.6 | 1 | 2 | 1 | 8 | 297.825 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 8.84 | -33.35 | 1 | 2 | 1 | 8 | 297.825 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 11.07 | -102.68 | 2 | 2 | 2 | 9 | 298.833 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3-2-E | C-X-C Chemokine Receptor Type 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 10000 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
