UCSF

ZINC15442931

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) 2.81 4.32 -6.46 0 1 0 13 225.995 1
Lo Low (pH 4.5-6) 2.81 4.54 -36.27 1 1 1 14 227.003 1

Vendor Notes

Note Type Comments Provided By
mp 34 - 36 MolMall (formerly Molecular Diversity Preservation International)
BP 84-86°/20mmHg Matrix Scientific
bp 97 - 99 (p=35 torr) MolMall (formerly Molecular Diversity Preservation International)
Purity 97% Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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