UCSF

ZINC00164553

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) 3.18 3.56 -3.95 1 1 0 20 230.107 2

Vendor Notes

Note Type Comments Provided By
MP 20 - 21 Enamine Building Blocks
Melting_Point 20-21? Alfa-Aesar
MP 20-21° Matrix Scientific
MP 20...21 Enamine Building Blocks
BP 88 / 42 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Boiling_Point 97-98?/50mm Alfa-Aesar
Boiling_Point 97-98°/50mm Alfa-Aesar
BP 97°/50mm Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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