UCSF

ZINC00035850

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) 3.33 6.81 -8.13 2 2 0 39 226.304 1
Hi High (pH 8-9.5) 3.33 6.87 -39.26 1 2 -1 36 225.296 1
Lo Low (pH 4.5-6) 3.33 7.17 -31.03 3 2 1 40 227.312 1

Vendor Notes

Note Type Comments Provided By
MP 153 - 155 Enamine Building Blocks
MP 153-154° Matrix Scientific
Melting_Point 153-156? Alfa-Aesar
Melting_Point 153-156° Alfa-Aesar
MP 153...155 Enamine Building Blocks
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% )