UCSF

ZINC01420666

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) 2.15 0.13 -7.53 1 4 0 55 190.202 3
Mid Mid (pH 6-8) 2.15 0.14 -11.93 1 4 0 55 190.202 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 122-124? Alfa-Aesar
Melting_Point 122-124° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0939757A1; EP1054871A2; US5760028; WO1997023480A1; WO1999050249A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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