UCSF

ZINC38192988

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) -1.46 4.81 -130.13 6 2 2 55 214.312 3
Hi High (pH 8-9.5) -1.46 4.35 -2.89 4 2 0 52 212.296 3
Mid Mid (pH 6-8) -1.46 4.58 -41.09 5 2 1 54 213.304 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 80-84? Alfa-Aesar
Melting_Point 80-84° Alfa-Aesar
MP 83 TCI
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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