UCSF

ZINC04977489

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 16 Yes

CAS Numbers: 1838578-68-9 , 79479-07-5

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) 2.51 -1.38 -7.43 2 6 0 84 233.264 6

Vendor Notes

Note Type Comments Provided By
Boiling_Point 206? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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