UCSF

ZINC04261773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 36 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) 9.11 20 -5.83 0 2 0 26 490.772 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 147-151? Alfa-Aesar
Melting_Point 147-151° Alfa-Aesar
Mp [°C] 149 - 150 Acros Organics
MP 150 TCI
H phrase H315: Causes skin irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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