| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2006 | 21 | Yes |
| 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) | 3.49 | -0.74 | -69.52 | 1 | 5 | -1 | 78 | 349.16 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80026-1-O | AGS (Gastric Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 1600 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80026 | Z80026 | AGS (Gastric Adenocarcinoma Cells) | 1600 | 0.39 | Functional ≤ 10μM |
