UCSF

ZINC01023366

Annotations

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) 0.95 2.93 -5.95 2 3 0 52 163.102 1

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 170 KeyOrganics
MP 174 - 178 Enamine Building Blocks
MP 174...178 Enamine Building Blocks
MP 175-177° Matrix Scientific
Melting_Point 68-70? Alfa-Aesar
Melting_Point 68-70° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% 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.