| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 26 | No |
Popular Name: BLAHdione BLAHdione
| 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) | 3.85 | 6.29 | -10.77 | 2 | 5 | 0 | 79 | 337.338 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 6.55 | -34.72 | 3 | 5 | 1 | 80 | 338.346 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 1950 | 0.31 | Functional ≤ 10μM |
| Z81024-8-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #8 Of 8), Other | Other | 930 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1950 | 0.31 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 930 | 0.32 | Functional ≤ 10μM |
