UCSF

ZINC08552145

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 10 No

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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) -2.22 -5.75 -11.37 4 5 0 98 150.13 4
Ref Reference (pH 7) -2.22 -7.36 -11.74 4 5 0 98 150.13 4
Hi High (pH 8-9.5) -3.07 -5.83 -55.66 3 5 -1 101 149.122 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 108-112? Alfa-Aesar
Melting_Point 108-112° Alfa-Aesar
Melting_Point 147-151? Alfa-Aesar
Melting_Point 147-151° Alfa-Aesar
MP 150 TCI
MP 150-152 °C(lit.) Indofine
UniProt Database Links ARA1_YEAST; ARADH_AZOBR; FCDH_PSESP; PLD_MICLT ChEBI
UniProt Database Links ARADH_AZOBR; GLRP_CLOPH; LYXK_ECOLI; RM1DH_PICST; SAL_SILAS ChEBI
UniProt Database Links DCXR_BOVIN; DCXR_CAEEL; DCXR_CAVPO; DCXR_HUMAN; DCXR_HYPJE; DCXR_MESAU; DCXR_MOUSE; DCXR_RAT; DER_CHICK; LAD_ASPNC; LAD_ASPOZ; LAD_HYPJE; LAD_NEUCR; LAD_PENCW; LAD_TALEM; LYXK_ECOLI; LYXK_HAEIN; LYXK_PASMU; SGBH_ECOLI; SGBH_HAEIN; SGBU_ECOLI; SGBU_HAEIN ChEBI
Patent Database Links EP1887017; US2003008833; US2003097029; US2004138445; US2005065139; US2005130972; WO2005034943; WO2005046612; WO2007098597 ChEBI
Patent Database Links US2003008833; WO2005034943 ChEBI
Patent Database Links US2003097029 ChEBI

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