UCSF

ZINC30320708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 14 No

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) -3.74 -5.12 -147.88 3 8 -2 150 228.093 6
Mid Mid (pH 6-8) -3.74 -6.31 -59.05 4 8 -1 147 229.101 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.61e+01 g/l DrugBank-experimental
UniProt Database Links ALSE_ECOLI; ARAA1_BACLD; ARAA1_CLOAB; ARAA2_BACLD; ARAA2_CLOAB; ARAA_ACIC1; ARAA_ACTSZ; ARAA_AERHH; ARAA_AERS4; ARAA_ANOFW; ARAA_ARTAT; ARAA_ARTS2; ARAA_BACHD; ARAA_BACSK; ARAA_BACSU; ARAA_BACTN; ARAA_BACV8; ARAA_BIFA0; ARAA_BIFAA; ARAA_BIFLD; ARAA_BIFLO ChEBI
Reactome Database Links REACT_11118; REACT_1450; REACT_1522; REACT_1629; REACT_1730; REACT_1811 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Insulin effects increased synthesis of Xylulose-5-Phosphate
Integration of energy metabolism
Pentose phosphate pathway (hexose monophosphate shunt)

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