UCSF

ZINC12736569

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) -0.21 2.7 -47.01 3 4 1 59 220.296 3
Lo Low (pH 4.5-6) -0.21 2.98 -91.19 4 4 2 60 221.304 3

Vendor Notes

Note Type Comments Provided By
MP 170 - 172 Enamine Building Blocks
MP 170...172 Enamine Building Blocks
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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