UCSF

ZINC54954741

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) 0.16 1.44 -3.48 2 3 0 52 131.175 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 112-114? Alfa-Aesar
Melting_Point 112-114° Alfa-Aesar
MP 146-149° Matrix Scientific
Melting_Point 166? dec. Alfa-Aesar
Melting_Point 166° dec. Alfa-Aesar
MP 171 - 173 Enamine Building Blocks
MP 171 °C Indofine
MP 171-173 °C(lit.) Indofine
MP 171-173° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% Fluorochem
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% )