UCSF

ZINC05113724

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) -2.10 -8.63 -57.9 5 4 1 87 125.173 2
Hi High (pH 8-9.5) 2.87 8.22 -93.98 5 6 2 87 425.483 4

Vendor Notes

Note Type Comments Provided By
MP 132 - 134 Enamine Building Blocks
MP 132...134 Enamine Building Blocks
BP 315° Oakwood Chemical
MP 68-72° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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