| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 40 | No |
Popular Name: [acetoxy-butanoyloxy-dihydroxy-dimethyl-(3-methylenepent-4-enyl)BLAHyl] [acetoxy-butanoyloxy-dihydroxy-d…
| 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) | 5.38 | 12.85 | -18.75 | 2 | 9 | 0 | 129 | 562.7 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390-2-O | PC-3 (Prostate Carcinoma Cells) (cluster #2 Of 10), Other | Other | 600 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 600 | 0.22 | Functional ≤ 10μM |
