UCSF

ZINC03995807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 41 No

CAS Number: 129453-61-8

Other Names:

Faslodex

ICI 182,780

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) 7.96 -0.31 -17.21 2 3 0 57 606.782 15

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.72e-03 g/l DrugBank-approved
therap antiestrogen MicroSource Spectrum
Patent Database Links EP1669073; EP1813609; EP1873258; EP1944041; EP1988098; US2005059672; US2005276812; US2006040958; US2006041131; US2006094706; US2006106023; US2006106029; US2006128725; US2006154937; US2007185069; US2007190102; US2007196269; US2007213340; US2007225270; US20 ChEBI

Activity (Go SEA)

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