UCSF

ZINC01628020

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) 2.44 2.69 -9.13 0 3 0 46 155.128 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 51-55? Alfa-Aesar
Melting_Point 51-55° Alfa-Aesar
MP 53-55° Matrix Scientific
MP 54 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Boiling_Point 97-98?/3mm Alfa-Aesar
Boiling_Point 97-98°/3mm Alfa-Aesar
BP 98 / 3 TCI
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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