| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 24 | Yes |
Popular Name: N-(3-methoxyphenyl)-1,3-dimethyl-pyrazolo[3,4-b]quinolin-4-amine N-(3-methoxyphenyl)-1,3-dimethyl…
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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) | 4.49 | 8.44 | -10.81 | 1 | 5 | 0 | 52 | 318.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.49 | 8.83 | -29.79 | 2 | 5 | 1 | 53 | 319.388 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 7260 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 7260 | 0.30 | Functional ≤ 10μM |
