UCSF

ZINC00153252

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) 2.08 -0.86 -3.32 2 2 0 35 157.6 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 135?/8mm Alfa-Aesar
Boiling_Point 135°/8mm Alfa-Aesar
Melting_Point 79-84? Alfa-Aesar
Melting_Point 79-84° Alfa-Aesar
MP 82 TCI
MP 83 - 85 Enamine Building Blocks
MP 83-85° Fluorochem
MP 83...85 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Melting_Point ca 228? dec. Alfa-Aesar
Melting_Point ca 228° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.