UCSF

ZINC12336592

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) 1.63 -3.69 -12.4 1 7 0 79 348.79 4

Vendor Notes

Note Type Comments Provided By
melting_point 1.690000000000000e+002 - 1.700000000000000e+002 KeyOrganics
melting_point 169 - 170 KeyOrganics
MP 169-170° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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