UCSF

ZINC19616456

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) 0.33 -0.59 -23.21 3 2 0 50 112.054 1
Mid Mid (pH 6-8) 0.33 -0.34 -35.3 2 2 -1 48 111.046 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 35-37?/11mm Alfa-Aesar
BP 35-37°/11mm Matrix Scientific
Purity 85+% Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Store in Freezer/Moisture Sensitive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
Warnings MOISTURE SENSITIVE, KEEP COLD, CORROSIVE 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; P310: Immediately call a POISON CENTER or doctor/physician; P303 + P361 + P353: IF ON SKIN (or hair): T Acros Organics
R phrase R34: Causes burns. Acros Organics
Notes Shelf-life of product is limited Apollo Scientific

Activity (Go SEA)

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