| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2006 | 27 | No |
Popular Name: 1-[3-(3-hydroxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone 1-[3-(3-hydroxyphenyl)-5-(3,4,5-…
| 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) | 2.05 | 0.7 | -16.3 | 1 | 7 | 0 | 80 | 370.405 | 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 | 2300 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 2300 | 0.29 | Functional ≤ 10μM |
