| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2006 | 27 | No |
Popular Name: 1-[3-(p-tolyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone 1-[3-(p-tolyl)-5-(3,4,5-trimetho…
| 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) | 3.00 | 3 | -14.03 | 0 | 6 | 0 | 60 | 368.433 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 1300 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 1300 | 0.31 | Functional ≤ 10μM |
