UCSF

ZINC32499136

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) 1.14 3.89 -128.32 4 2 2 33 182.242 1
Hi High (pH 8-9.5) 1.14 1.44 -2.48 2 2 0 24 180.226 1
Hi High (pH 8-9.5) 1.14 2.78 -42.07 3 2 1 29 181.234 1

Vendor Notes

Note Type Comments Provided By
MP 111-114° Oakwood Chemical
Purity 94% Fluorochem
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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