| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 28 | Yes |
Popular Name: 3-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)isoxazol-5-amine 3-(3,4-dimethoxyphenyl)-4-(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) | 2.70 | 4.05 | -12.88 | 2 | 8 | 0 | 98 | 386.404 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 4.06 | -39.14 | 3 | 8 | 1 | 99 | 387.412 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 1400 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1400 | 0.29 | Functional ≤ 10μM |
