UCSF

ZINC02575482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.35 0.34 -45.12 0 2 -1 40 208.075 6

Vendor Notes

Note Type Comments Provided By
BP 145°/03mm Matrix Scientific
BP 166 / 12 TCI
MP 30 TCI
MP 32° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin wi Acros Organics
R phrase R34: Causes burns. Acros Organics

Activity (Go SEA)

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