| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 50 | No |
Popular Name: [ethyl-[2-(4-fluorophenoxy)acetyl]oxy-dioxo-BLAHyl]methyl [ethyl-[2-(4-fluorophenoxy)acety…
| 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) | 6.28 | 18.27 | -25.73 | 0 | 11 | 0 | 132 | 682.632 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80152-1-O | HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other | Other | 52 | 0.20 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 293 | 0.18 | Functional ≤ 10μM |
| Z80697-1-O | Bel-7402 (Hepatoma Cells) (cluster #1 Of 3), Other | Other | 26 | 0.21 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 58 | 0.20 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 72 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 58 | 0.20 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 293 | 0.18 | Functional ≤ 10μM |
| Z80697 | Z80697 | Bel-7402 (Hepatoma Cells) | 26 | 0.21 | Functional ≤ 10μM |
| Z80152 | Z80152 | HCT-8 (Ileocecal Adenocarcinoma) | 52 | 0.20 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 72 | 0.20 | Functional ≤ 10μM |
