| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 26 | Yes |
Popular Name: 1-[1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-piperidyl]-3-phenyl-urea 1-[1-[[(1S,5R)-7,7-dimethyl-4-bi…
| 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) | 4.49 | 10.51 | -48.93 | 3 | 4 | 1 | 46 | 354.518 | 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 | 2000 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 2000 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
