diethylstilbestrol

Ligand id: 2801

Name: diethylstilbestrol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 40.46
Molecular weight 268.15
XLogP 5.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Coward P, Lee D, Hull MV, Lehmann JM. (2001)
4-Hydroxytamoxifen binds to and deactivates the estrogen-related receptor gamma.
Proc. Natl. Acad. Sci. U.S.A.98 (15): 8880-4. [PMID:11447273]
2. Kuiper GG, Carlsson B, Grandien K, Enmark E, Häggblad J, Nilsson S, Gustafsson JA. (1997)
Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta.
Endocrinology138 (3): 863-70. [PMID:9048584]
3. Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguère V. (2001)
Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta.
Genes Dev.15 (7): 833-8. [PMID:11297507]