UCSF

ZINC04243132

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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) 1.87 4.21 -8.07 1 3 0 46 190.177 2
Ref Reference (pH 7) 1.87 4.27 -7.97 1 3 0 46 190.177 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 160 - 164 Acros Organics
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
melting_point 168 - 170 KeyOrganics
Melting_Point 170? Alfa-Aesar
Melting_Point 170° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% 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% )