UCSF

ZINC05240199

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 19 Yes

CAS Numbers: 347189-18-8 , 5497-76-7

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) 2.81 2.32 -10.99 0 5 0 55 271.357 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-112? Alfa-Aesar
Melting_Point 110-112° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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