UCSF

ZINC22217689

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 No

Popular Name: (5S)-spiro[imidazolidine-5,4'-thiochroman]-2,4-dione (5S)-spiro[imidazolidine-5,4'-th…

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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) 1.10 2.03 -9.41 2 4 0 58 234.28 0 ↓
Hi High (pH 8-9.5) 1.29 0.23 -42.04 1 4 -1 65 233.272 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 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% )

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