UCSF

ZINC01845704

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) 2.24 3.84 -8.4 0 3 0 46 177.081 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 91-93?/20mm Alfa-Aesar
Boiling_Point 91-93°/20mm Alfa-Aesar
BP 92 / 20.3 TCI
BP 92°/20mm Matrix Scientific
purity 95 Enamine Building Blocks
Purity 98% APIChem
Purity 99% Matrix Scientific
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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

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