| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2011 | 27 | No |
Popular Name: 1-[(3S)-5-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-5-(4-bromophenyl)-3-(3,4…
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| 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) | 3.36 | 9.06 | -13.6 | 0 | 6 | 0 | 60 | 433.302 | 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 | 6000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 6000 | 0.27 | Functional ≤ 10μM |
