| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 21 | No |
| 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) | 5.02 | 7.11 | -8.99 | 2 | 4 | 0 | 67 | 292.375 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418-3-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other | Other | 60 | 0.48 | Functional ≤ 10μM |
| Z80418-1-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #1 Of 2), Other | Other | 1588 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 60 | 0.48 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 1588 | 0.39 | ADME/T ≤ 10μM |
