UCSF

ZINC00369260

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) 2.62 -0.58 -14.81 1 4 0 51 262.696 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 115-118? Alfa-Aesar
Melting_Point 115-118° Alfa-Aesar
melting_point 137 - 139 KeyOrganics
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000039111A1 IBM Patent Data

Activity (Go SEA)

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