| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 26 | Yes |
Popular Name: [5-(2-aminoethoxy)isoindolin-2-yl]-(2,4-dihydroxy-5-isopropyl-phenyl)methanone [5-(2-aminoethoxy)isoindolin-2-y…
None
| 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) | 2.15 | 2.75 | -54.35 | 5 | 6 | 1 | 98 | 357.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 2.31 | -13.63 | 4 | 6 | 0 | 96 | 356.422 | 5 | ↓ |
| 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 | 300 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 300 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
