| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 28 | No |
Popular Name: S-[2-[6-[[4-(3-hydroxypropoxy)phenyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] S-[2-[6-[[4-(3-hydroxypropoxy)ph…
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| 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) | 1.80 | 3.11 | -47.7 | 1 | 8 | -1 | 125 | 423.492 | 11 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 3.57 | -18.12 | 2 | 8 | 0 | 123 | 424.5 | 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 | 8600 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 8600 | 0.25 | Functional ≤ 10μM |
