| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 24 | Yes |
Popular Name: 1-(2-pyridylmethyl)-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]piperidin-4-amine 1-(2-pyridylmethyl)-N-[(1R,2R,4R…
| 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) | 3.41 | 8.77 | -35.35 | 2 | 3 | 1 | 33 | 328.524 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 8.8 | -81.9 | 3 | 3 | 2 | 34 | 329.532 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 10.39 | -34.32 | 2 | 3 | 1 | 29 | 328.524 | 4 | ↓ |
| 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 | 7943 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 7943.28235 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
