UCSF

ZINC43080024

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 25 Yes

Popular Name: DNC009862 DNC009862

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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) 3.45 10.14 -13.63 1 3 0 42 330.431 7 ↓
Lo Low (pH 4.5-6) 3.45 10.61 -38.06 2 3 1 43 331.439 7 ↓

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 150 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_HUMAN P34913 Epoxide Hydratase, Human 31 0.42 Binding ≤ 1μM
HYES_RAT P80299 Epoxide Hydrolase 2, Rat 150 0.38 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 31 0.42 Binding ≤ 10μM
HYES_RAT P80299 Epoxide Hydrolase 2, Rat 150 0.38 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% )