UCSF

ZINC08615661

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) 2.37 5.55 -26.38 3 2 1 40 191.279 1
Hi High (pH 8-9.5) 2.37 5.19 -38.83 1 2 -1 36 189.263 1
Mid Mid (pH 6-8) 2.37 5.13 -6.96 2 2 0 39 190.271 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 107-112? Alfa-Aesar
Melting_Point 107-112° Alfa-Aesar
MP 116-118° Matrix Scientific
MP 150-151° Oakwood Chemical
BP 163-164°/0.6 Torr Matrix Scientific
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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