UCSF

ZINC00119927

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) 2.92 1.31 -3.13 2 1 0 26 195.571 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 39-40?/0.1mm Alfa-Aesar
Boiling_Point 39-40°/0.1mm Alfa-Aesar
MP 51 - 52 Enamine Building Blocks
MP 51...52 Enamine Building Blocks
Boiling_Point 66-67?/3mm Alfa-Aesar
Boiling_Point 66-67°/3mm Alfa-Aesar
BP 77 / 5 TCI
Melting_Point 8-9? Alfa-Aesar
Melting_Point 8-9° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% APIChem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5650415 IBM Patent Data

Activity (Go SEA)

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