UCSF

ZINC02574997

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) 2.37 1.99 -43.93 0 2 -1 40 191.54 1

Vendor Notes

Note Type Comments Provided By
Melting Point 174-176 SynQuest Building Blocks
MP 174-176° Matrix Scientific
Melting_Point 174-177? Alfa-Aesar
Melting_Point 174-177° Alfa-Aesar
MP 176 - 178 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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