UCSF

ZINC14880861

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 20 No

Popular Name: N-Cyclohexyl-N'-Decylurea N-Cyclohexyl-N'-Decylurea

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Other Names:

MFCD02674256

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) 6.12 8.92 -7.77 2 3 0 41 282.472 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.89e-03 g/l DrugBank-experimental

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 50 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 50 0.51 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 140 0.48 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 140 0.48 Binding ≤ 10μM
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 50 0.51 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% )

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