UCSF

ZINC01742216

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) 0.12 4.39 -35.35 2 3 0 57 171.24 3

Vendor Notes

Note Type Comments Provided By
MP 298-300° Oakwood Chemical
Purity 95+% Matrix Scientific
MP >260o C Indofine
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5348944 IBM Patent Data

Activity (Go SEA)

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