UCSF

ZINC66101050

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 No

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[5-[(1,3-dioxoisoindolin-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide 2-(1,3-dioxoisoindolin-2-yl)-N-[…

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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) 1.96 7.18 -30.26 1 10 0 133 447.432 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTR1-1-E Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTR1_LEIMA Q01782 Pteridine Reductase 1, Leima 9000 0.22 Binding ≤ 10μM

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

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