| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 16th, 2008 | 21 | No |
Popular Name: 3b,17b-Dihydroxyetiocholane 3b,17b-Dihydroxyetiocholane
None
| 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) | 3.61 | 4.6 | -3.31 | 2 | 2 | 0 | 40 | 292.463 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-6-O | MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other | Other | 5 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 4.66 | 0.56 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.