UCSF

ZINC01841426

Annotations

Vendors

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) 1.56 4.54 -12.34 0 4 0 45 196.202 4

Vendor Notes

Note Type Comments Provided By
BP [°C] 168 - 170 (p=12 torr) Acros Organics
Boiling_Point 168-170?/12mm Alfa-Aesar
Boiling_Point 168-170°/12mm Alfa-Aesar
BP 170 / 12 TCI
MP 38 - 40 Enamine Building Blocks
MP 38-40° Oakwood Chemical
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar
MP 40 TCI
MP 40 - 42 Enamine Building Blocks
MP 40...42 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% APIChem
Mp [°C] >36.5 Acros Organics
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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