UCSF

ZINC01915469

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 21 No

Popular Name: 2-[3-(2,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid 2-[3-(2,4-dichlorobenzyl)-2,4,5-…

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CAS Number: 128043-97-0

Other Names:

MFCD00890605

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) 0.70 7.01 -43.5 0 7 -1 101 330.103 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 228 - 230 KeyOrganics

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 100 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_RAT P07943 Aldose Reductase, Rat 100 0.47 Binding ≤ 1μM
ALDR_RAT P07943 Aldose Reductase, Rat 100 0.47 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.