UCSF

ZINC01603598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 1-Benzofuran-3(2H)-one 1-Benzofuran-3(2H)-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7169-34-8 , 71699-34-8 , [7169-34-8]

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) 1.33 3.5 -6.5 0 2 0 26 134.134 0 ↓
Mid Mid (pH 6-8) 1.97 2.66 -49.65 0 2 -1 36 133.126 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
Melting_Point 97-102? Alfa-Aesar
Melting_Point 97-102° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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