UCSF

ZINC54009804

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) -1.20 -1.69 -29.51 4 3 1 62 111.124 0
Hi High (pH 8-9.5) -1.20 -0.96 -23.94 3 3 0 64 110.116 0
Hi High (pH 8-9.5) 0.06 -2.17 -5.61 3 3 0 59 110.116 0

Vendor Notes

Note Type Comments Provided By
MP 151-152° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 95+% Matrix Scientific
Purity 97% 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.