UCSF

ZINC02545127

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) -2.65 -2.42 -63.28 3 7 -1 127 189.147 6

Vendor Notes

Note Type Comments Provided By
SOLUBILITY 0.5 M NaOH: 0.5 g/mL, clear, colorless Indofine
MP 201 TCI
Mp [°C] 219 Acros Organics
MP 219 °C (dec.)(lit.) Indofine
ALOGPS_SOLUBILITY 4.91e+01 g/l DrugBank-experimental
Purity 99% Fluorochem
Notes Biological buffer - useful range 6.0 - 7.2 Apollo Scientific Bioactives
Melting_Point ca 218? dec. Alfa-Aesar
Melting_Point ca 218° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2007249014 ChEBI

Activity (Go SEA)

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