| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 36 | Yes |
Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-(4-phenyl-1-naphthyl)urea 1-[5-tert-butyl-2-(p-tolyl)pyraz…
| 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) | 8.26 | 16.89 | -16.22 | 2 | 5 | 0 | 59 | 474.608 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 1430 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 1430 | 0.23 | Functional ≤ 10μM |
