UCSF

ZINC03895072

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 20 Yes

Popular Name: DNC007562 DNC007562

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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) 4.58 6.91 -7.4 2 3 0 41 276.424 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HYES-2-E Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 2 0.61 Binding ≤ 10μM
P95276-2-B Epoxide Hydrolase (cluster #2 Of 2), Bacterial Bacteria 130 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_HUMAN P34913 Epoxide Hydratase, Human 1.6 0.62 Binding ≤ 1μM
P95276_MYCTU P95276 Epoxide Hydrolase, Myctu 130 0.48 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 1.6 0.62 Binding ≤ 10μM
P95276_MYCTU P95276 Epoxide Hydrolase, Myctu 130 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)

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