UCSF

ZINC00389591

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) 2.64 5.29 -4.46 0 0 0 0 128.121 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 110-113? Alfa-Aesar
BP 110-113° Matrix Scientific
Purity 98% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific
PUBCHEM_PATENT_ID WO1998050356A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.