UCSF

ZINC12954494

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 21 Yes

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Vendors

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) 5.96 10.99 -44.92 1 3 -1 60 297.459 15
Lo Low (pH 4.5-6) 5.96 9.01 -7.16 2 3 0 58 298.467 15

Vendor Notes

Note Type Comments Provided By
Purity >80% Fluorochem
Patent Database Links EP0947523; EP0962459; EP1375583; EP1604650; EP1666092; EP1676488; EP1798279; EP1813311; EP1886660; US2003195367; US2004014184; US2004110844; US2004122094; US2004170658; US2004258743; US2006039962; US2007184006; US2007202139; US2008020956; WO2005095378; WO ChEBI
UniProt Database Links PXG1_AVESA ChEBI

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