UCSF

ZINC02036738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 20 No

CAS Numbers: 50-28-2 , 57-91-0

Other Names:

17alpha-estradiol

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.43 4.9 -4.83 2 2 0 40 272.388 0

Vendor Notes

Note Type Comments Provided By
Target Cell division protein kinase 4(P11802)&Apoptosis regulator BAX(Q07812)&Caspase-9(P55211)&Caspase-8(Q14790)&Caspase-3(P42574) Herbal Ingredients Targets
Target Cytochrome b reductase 1(Q53TN4)&Extracellular superoxide dismutase [Cu-Zn](P08294)&Thioredoxin reductase 1, cytoplasmic(Q16881)&Transforming growth factor beta-1(P01137)&Solute carrier family 23 member 2(Q9UGH3)&Caspase-3(P42574)&Nuclear respiratory fact Herbal Ingredients Targets

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )