| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 28 | No |
Popular Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]pent-4-enyl] [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-…
| 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) | 5.70 | 12.77 | -14.75 | 1 | 6 | 0 | 82 | 395.54 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245-4-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #4 Of 6), Other | Other | 3300 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 3300 | 0.27 | Functional ≤ 10μM |
