UCSF

ZINC03860612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 No

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) 1.42 4.26 -6.53 0 2 0 20 135.166 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 242-244? Alfa-Aesar
Boiling_Point 242-244° Alfa-Aesar
BP 243 TCI
BP [°C] 243 - 244 Acros Organics
BP 243° Oakwood Chemical
Mp [°C] 8 - 13 Acros Organics
MP 8...13 Enamine Building Blocks
Melting_Point 9-13? Alfa-Aesar
Melting_Point 9-13° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R38: Irritating to skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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