UCSF

ZINC00334128

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

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) 0.78 3.03 -9.84 0 2 0 30 110.112 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 45-47? Alfa-Aesar
melting_point 47 KeyOrganics
MP 47° Matrix Scientific
MP 52 - 54 Enamine Building Blocks
MP 52-54° Oakwood Chemical
MP 52...54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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