UCSF

ZINC01850826

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 Yes

Popular Name: 3-Butylisobenzofuran-1(3H)-one 3-Butylisobenzofuran-1(3H)-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6066-49-5 , [6066-49-5]

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) 3.48 2.08 -9.6 0 2 0 26 190.242 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Caspase-3(P42574)&Arachidonate 5-lipoxygenase(P09917)&Thymidine phosphorylase(P19971)&Caspase-9(P55211) Herbal Ingredients Targets
Target Caspase-3(P42574)&Eukaryotic translation initiation factor 6(P56537)&Cell division protein kinase 4(P11802)&G1/S-specific cyclin-D1(P24385) Herbal Ingredients Targets
Target Retinoblastoma-associated protein(P06400)&Eukaryotic translation initiation factor 6(P56537)&Tissue factor(P13726) Herbal Ingredients Targets

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