| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2009 | 23 | Yes |
Popular Name: 2-hydroxy-3-[[2-(isopropylamino)-3,4-dioxo-cyclobuten-1-yl]amino]-N,N-dimethyl-benzamide 2-hydroxy-3-[[2-(isopropylamino)…
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) | 2.33 | -1.9 | -23.29 | 3 | 7 | 0 | 106 | 317.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | -1.58 | -69.98 | 2 | 7 | -1 | 109 | 316.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | -0.81 | -118.49 | 1 | 7 | -2 | 111 | 315.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 0.03 | -122.04 | 5 | 7 | 2 | 105 | 319.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 1.8 | -55.14 | 3 | 7 | 0 | 105 | 317.345 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR2-1-E | Interleukin-8 Receptor B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 10 | 0.49 | Binding ≤ 1μM |
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 10 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
