UCSF

ZINC00899007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 11 Yes

Popular Name: 2,5-Dideoxy-2,5-Imino-D-Glucitol 2,5-Dideoxy-2,5-Imino-D-Glucitol

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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) -2.62 -11.98 -33.47 6 5 1 97 164.181 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 225 - 226 MolMall (formerly Molecular Diversity Preservation International)
ALOGPS_SOLUBILITY 3.23e+02 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 40 0.94 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SUIS_RAT P23739 Sucrase-isomaltase, Rat 100 0.89 Binding ≤ 1μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 100 0.89 Binding ≤ 10μM

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