UCSF

ZINC02526212

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) 2.69 1.59 -5.98 0 1 0 13 225.995 1
Lo Low (pH 4.5-6) 2.69 1.7 -36.21 1 1 1 14 227.003 1

Vendor Notes

Note Type Comments Provided By
mp 37 - 39 MolMall (formerly Molecular Diversity Preservation International)
MP 37 - 40 Enamine Building Blocks
MP 37 - 41 Enamine Building Blocks
Melting_Point 37-39? Alfa-Aesar
MP 37-39° Matrix Scientific
MP 37-41° Oakwood Chemical
MP 37-41º Fluorochem
MP 37...41 Enamine Building Blocks
MP 40 TCI
bp 67 - 69 (p=9 torr) MolMall (formerly Molecular Diversity Preservation International)
BP 69 / 9 TCI
Boiling_Point 76?/8mm Alfa-Aesar
BP 76°/8mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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