| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 22 | Yes |
Popular Name: (2,4-dihydroxy-5-isopropyl-phenyl)-isoindolin-2-yl-methanone (2,4-dihydroxy-5-isopropyl-pheny…
| 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) | 3.31 | 5.06 | -11.15 | 2 | 4 | 0 | 61 | 297.354 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 5.97 | -56.76 | 1 | 4 | -1 | 64 | 296.346 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 31 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 31 | 0.48 | Functional ≤ 10μM |
