| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 25 | Yes |
Popular Name: 4-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)isoxazol-5-amine 4-(4-chlorophenyl)-3-(3,4,5-trim…
| 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) | 3.73 | 5.39 | -9.81 | 2 | 6 | 0 | 80 | 360.797 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 5.41 | -37.18 | 3 | 6 | 1 | 81 | 361.805 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 640 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 640 | 0.35 | Functional ≤ 10μM |
