UCSF

ZINC00080458

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) 1.31 6.23 -54.19 0 5 -1 79 232.215 4

Vendor Notes

Note Type Comments Provided By
melting_point 1.190000000000000e+002 - 1.210000000000000e+002 KeyOrganics
melting_point 119 - 121 KeyOrganics
MP 119-121° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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