UCSF

ZINC13612559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 11 Yes

Popular Name: DNJ DNJ

Find On: PubMed — Wikipedia — Google

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) -2.40 -9.07 -39.42 6 5 1 98 164.181 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.11e+02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0008031A1; EP0127826A2; EP0229546A1; EP0230166A1; EP0230581A2; EP0240868A2; EP0240868B1; EP0252962A1; EP0252962B1; EP0282618A1; EP0318898A2; EP0319986B1; EP0322643A1; EP0322643B1; EP0322822B1; EP0328111A2; EP0328111B1; EP0328508A2; EP0344383A1; EP034510 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9LGC6-1-E Alpha-glucosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 4300 0.68 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.