UCSF

ZINC00396172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

CAS Numbers: 2655-84-7 , [2655-84-7]

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) 3.15 0.48 -2.77 0 1 0 9 201.063 2

Vendor Notes

Note Type Comments Provided By
BP 231 TCI
Boiling_Point 231? Alfa-Aesar
Boiling_Point 231° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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