UCSF

ZINC00119457

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) -1.36 -3.07 -41.2 4 4 0 87 199.181 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.19e+00 g/l DrugBank-experimental
Melting_Point 260-261? Alfa-Aesar
Melting_Point 260-261° Alfa-Aesar
MP 276-277°° Matrix Scientific
MP 278-279°(dec.) Oakwood Chemical
MP 280° Matrix Scientific
Purity 97% Matrix Scientific
mechanism Antithyroid IBScreen Bioactives
Melting_Point ca 280? dec. Alfa-Aesar
Melting_Point ca 280° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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