| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 29 | No |
Popular Name: S-[2-[6-[[4-(2-dimethylaminoethyloxy)phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] S-[2-[6-[[4-(2-dimethylaminoethy…
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) | 2.20 | 7.1 | -70.4 | 1 | 8 | 0 | 109 | 437.543 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 4.61 | -46.82 | 0 | 8 | -1 | 108 | 436.535 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 7.56 | -50.72 | 2 | 8 | 1 | 107 | 438.551 | 11 | ↓ |
| 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 | 660 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 660 | 0.30 | Functional ≤ 10μM |
