UCSF

ZINC00074098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

CAS Numbers: 119-52-8 , [119-52-8]

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) 2.39 5.17 -9.88 1 4 0 56 272.3 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 109 - 114 Acros Organics
Melting_Point 110-114? Alfa-Aesar
Melting_Point 110-114° Alfa-Aesar
MP 112 TCI
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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