UCSF

ZINC03268279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 16 No

Other Names:

MFCD03964709

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) 0.72 0.14 -8.64 2 5 0 67 218.212 0

Vendor Notes

Note Type Comments Provided By
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 10000 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_BOVIN P16116 Aldose Reductase, Bovin 10000 0.44 Binding ≤ 10μM

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