| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2007 | 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) | 3.77 | -0.81 | -69.31 | 1 | 5 | -1 | 78 | 396.16 | 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 | 3500 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80026 | Z80026 | AGS (Gastric Adenocarcinoma Cells) | 3500 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.