UCSF

ZINC00157375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 1,3-Dicyclohexylurea 1,3-Dicyclohexylurea

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CAS Numbers: , 2387-23-7 , [2387-23-7]

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) 3.56 5.39 -8.04 2 3 0 41 224.348 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 230-233? Alfa-Aesar
Melting_Point 230-233° Alfa-Aesar
Mp [°C] 231 - 235 Acros Organics
MP 236 TCI
Purity 95% Fluorochem
therap inhibitor of glycoside anomerization MicroSource Spectrum
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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 52 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_HUMAN P34913 Epoxide Hydratase, Human 52 0.64 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 52 0.64 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% )