| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 37 | No |
Popular Name: N-(2-dimethylaminoethyl)-N-[(1R)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1R)…
| 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) | 7.06 | 18.64 | -58.24 | 1 | 6 | 1 | 60 | 505.727 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3-1-E | C-X-C Chemokine Receptor Type 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 3100 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
