| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 19 | Yes |
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) | 1.41 | 3.82 | -17.86 | 3 | 4 | 0 | 68 | 251.289 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.18 | -32.98 | 4 | 4 | 1 | 69 | 252.297 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-2-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 4), Other | Other | 4700 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 4700 | 0.39 | ADME/T ≤ 10μM |
