UCSF

ZINC02516866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -3.50 -8.81 -15.78 5 6 0 118 180.156 5
Ref Reference (pH 7) -2.64 -9.2 -12.68 5 6 0 118 180.156 5
Hi High (pH 8-9.5) -3.50 -8.06 -56.02 4 6 -1 121 179.148 5

Vendor Notes

Note Type Comments Provided By
MP 124-127 °C Indofine
Melting_Point 129-135? Alfa-Aesar
Melting_Point 129-135° Alfa-Aesar
Melting_Point 164-168? Alfa-Aesar
Melting_Point 164-168° Alfa-Aesar
MP 168-170 °C(lit.) Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
UniProt Database Links AGAI_ECOLI; ARAA_GEOSE; DHSO_RHOSH; DT3E_PSECI; GATY_ECO24; GATY_ECO27; GATY_ECO45; GATY_ECO55; GATY_ECO57; GATY_ECO5E; GATY_ECO7I; GATY_ECO8A; GATY_ECOBW; GATY_ECODH; GATY_ECOHS; GATY_ECOK1; GATY_ECOL5; GATY_ECOL6; GATY_ECOLC; GATY_ECOLI; GATY_ECOLU; GAT ChEBI
UniProt Database Links AGLA_THEMA; ARAA_GEOSE; ARADH_AZOBR; ARAF_ECOLI; ARALA_AZOBR; CGIA_ALTFO; CGIA_ZOBGA; CGKA_PSEVC; CHVE_AGRT5; COL12_BOVIN; COL12_HUMAN; COL12_MOUSE; COL12_RAT; G3PA_SCEVA; GAHP1_CLOPH; GAHP2_CLOPH; GAL10_CANMA; GAL10_KLULA; GAL10_PACTA; GAL10_SCHPO; GAL10 ChEBI
Patent Database Links EP0971025; EP1022284; EP1106609; EP1279676; EP1308171; EP1310254; EP1439187; EP1514551; EP1516881; EP1518550; EP1535891; EP1544208; EP1544297; EP1548024; EP1550448; EP1550469; EP1563840; EP1579771; EP1582221; EP1609797; EP1623723; EP1627573; EP1629850; EP ChEBI
Patent Database Links EP1894577; US2002016300; US2004082807; US2004143024; US2005148067; US2005171028; US2006079713; US2006280688; WO2008154221 ChEBI
SOLUBILITY H2O: 100 mg/mL Indofine
Reactome Database Links REACT_1246; REACT_9455; REACT_9458; REACT_9525 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Digestion of dietary carbohydrate
Facilitative Na+-independent glucose transporters
Galactose catabolism
Hexose transport
Na+-dependent glucose transporters

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