UCSF

ZINC01492564

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 28 No

Popular Name: Minalrestat Minalrestat

Find On: PubMed — Wikipedia — Google

CAS Number: 129688-50-2

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) 1.08 -0.36 -10.75 1 6 0 83 449.207 2 ↓

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 32 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_BOVIN P16116 Aldose Reductase, Bovin 32 0.37 Binding ≤ 1μM
ALDR_BOVIN P16116 Aldose Reductase, Bovin 32 0.37 Binding ≤ 10μM

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