| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 29 | Yes |
| 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) | 3.28 | 7.3 | -20.77 | 2 | 6 | 0 | 80 | 385.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 7.66 | -44.09 | 3 | 6 | 1 | 82 | 386.431 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-3-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 4), Other | Other | 1760 | 0.28 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 1760 | 0.28 | ADME/T ≤ 10μM |
