| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 25 | No |
Popular Name: S-[2-[6-[(4-methoxyphenyl)sulfonylamino]-3-pyridyl]-2-oxo-ethyl] S-[2-[6-[(4-methoxyphenyl)sulfon…
| 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) | 2.17 | 4.71 | -46.15 | 0 | 7 | -1 | 105 | 379.439 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.18 | -15.81 | 1 | 7 | 0 | 102 | 380.447 | 8 | ↓ |
| 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 | 540 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 540 | 0.35 | Functional ≤ 10μM |
