| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 33 | Yes |
Popular Name: 4-[(2S)-2-[(4R)-4,8-dimethylnonyl]-2,5,7,8-tetramethyl-chroman-6-yl]oxy-4-oxo-butanoic 4-[(2S)-2-[(4R)-4,8-dimethylnony…
| 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) | 7.39 | 17.82 | -45.78 | 0 | 5 | -1 | 76 | 459.647 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100500-1-O | 4T1 (Mammary Carcinoma Cells) (cluster #1 Of 2), Other | Other | 2500 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100500 | Z100500 | 4T1 (Mammary Carcinoma Cells) | 2500 | 0.24 | Functional ≤ 10μM |
