UCSF

ZINC12362936

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) 0.52 2.18 -57.29 0 4 -1 60 178.167 0
Lo Low (pH 4.5-6) 0.52 1.17 -9.27 1 4 0 58 179.175 0

Vendor Notes

Note Type Comments Provided By
MP 165-170 °C(lit.) Indofine
MP 165-170° Oakwood Chemical
Melting_Point 166-170? Alfa-Aesar
Melting_Point 166-170° Alfa-Aesar
MP 167 TCI

Activity (Go SEA)

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