UCSF

ZINC08294933

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) 1.60 3.73 -4.04 0 1 0 13 147.099 1
Lo Low (pH 4.5-6) 1.60 4.01 -35.95 1 1 1 14 148.107 1

Vendor Notes

Note Type Comments Provided By
bp 111 - 112 MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 111-114? Alfa-Aesar
Boiling_Point 111-114° Alfa-Aesar
BP 111-114°/760mm Fluorochem
BP 113-115° Oakwood Chemical
BP 116-117° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings Flammable/Irritant Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

Activity (Go SEA)

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