| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2009 | 23 | No |
Popular Name: 2-dimethylamino-N-[4-[(E)-3-(2-pyridyl)prop-2-enoyl]phenyl]acetamide 2-dimethylamino-N-[4-[(E)-3-(2-p…
| 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) | 2.04 | 8.23 | -49.58 | 2 | 5 | 1 | 63 | 310.377 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.75 | -17.13 | 1 | 5 | 0 | 62 | 309.369 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80169-1-O | Huh-7 (Hepatocellular Carcinoma) (cluster #1 Of 1), Other | Other | 8400 | 0.31 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 8200 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 8200 | 0.31 | Functional ≤ 10μM |
| Z80169 | Z80169 | Huh-7 (Hepatocellular Carcinoma) | 8400 | 0.31 | Functional ≤ 10μM |
