| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 31 | No |
Popular Name: S-[2-[6-[[4-[4-(dimethylamino)butoxy]phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] S-[2-[6-[[4-[4-(dimethylamino)bu…
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) | 2.74 | 8.52 | -71.88 | 1 | 8 | 0 | 109 | 465.597 | 13 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 9 | -50.72 | 2 | 8 | 1 | 107 | 466.605 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 280 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 280 | 0.30 | Functional ≤ 10μM |
