UCSF

ZINC03850328

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Vendors

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) 2.27 1.14 -7.3 0 2 0 26 176.215 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 171 (p=11 torr) Acros Organics
Boiling_Point 171?/11mm Alfa-Aesar
BP 171°/11 mm Oakwood Chemical
Boiling_Point 171°/11mm Alfa-Aesar
Mp [°C] 77 - 79 Acros Organics
MP 77-79° Oakwood Chemical
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 79 TCI
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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