UCSF

ZINC01577178

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) 3.74 1.92 -4.88 0 1 0 9 184.238 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 273-274? Alfa-Aesar
Boiling_Point 273-274° Alfa-Aesar
BP 274 TCI
MP 28 TCI
Melting_Point ca 30? Alfa-Aesar
Melting_Point ca 30° Alfa-Aesar
PUBCHEM_PATENT_ID US4261907; US4309349 IBM Patent Data

Activity (Go SEA)

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