UCSF

ZINC13535609

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 Yes

Popular Name: (1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyhexyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]hexan-1- (1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1…

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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) 4.64 7.06 -2.26 2 4 0 59 342.52 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUOX2-1-E Thyroid Oxidase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4500 0.31 Binding ≤ 10μM
Z100771-1-O Mitochondrial Complex I (cluster #1 Of 2), Other Other 4500 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100771 Z100771 Mitochondrial Complex I 4500 0.31 Binding ≤ 10μM
DUOX2_HUMAN Q9NRD8 Thyroid Oxidase 2, Human 4500 0.31 Binding ≤ 10μM

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