UCSF

ZINC02635395

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 19 No

Popular Name: 6'-fluoro-2',3'-dihydro-2H,5H-spiro[imidazolidine-4,4'-thiochromene]-2,5-dione 1',1'-dioxide 6'-fluoro-2',3'-dihydro-2H,5H-sp…

Find On: PubMed — Wikipedia — Google

CAS Number: 66892-63-5

Other Names:

MFCD05267731

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) 0.12 -6.95 -14.36 2 6 0 92 284.268 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 294 - 296 Enamine Building Blocks
MP 294...296 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-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 1000 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_HUMAN P15121 Aldose Reductase, Human 1000 0.44 Binding ≤ 1μM
ALDR_HUMAN P15121 Aldose Reductase, Human 1000 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pregnenolone biosynthesis

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

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