UCSF

ZINC00065313

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Substance Information

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

Popular Name: Carbanilide Carbanilide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102-07-8 , 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) 3.35 5.54 -8.86 2 3 0 41 218.3 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 230-233? Alfa-Aesar
Melting_Point 230-233° Alfa-Aesar
Melting_Point 240-244? Alfa-Aesar
Melting_Point 240-244° Alfa-Aesar
Boiling_Point 260? dec. Alfa-Aesar
Boiling_Point 260° dec. Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HYES-1-E Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 760 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 760 0.54 Binding ≤ 1μM
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 760 0.54 Binding ≤ 10μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 1390 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% )