UCSF

ZINC38792109

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 9 Yes

CAS Numbers: 166985-95-1 , 51-17-2

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) 0.85 2.35 -6.33 0 2 0 25 118.139 0

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP0805188; EP0882718; EP0974589; EP0985662; EP1055668; EP1312605; EP1362854; EP1779849; EP1854786; EP1988076; GB2016273; US2002132797; US2002198195; US2003087945; US2003165443; US2004029886; US2004077726; US2004157865; US2004220237; US2005119453; US200525 ChEBI

Activity (Go SEA)

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