UCSF

ZINC01842530

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) 3.06 7.18 -40.05 2 4 1 47 325.432 4
Hi High (pH 8-9.5) 2.09 5.57 -100.03 7 8 2 126 405.506 4
Lo Low (pH 4.5-6) 3.06 7.62 -89.55 3 4 2 48 326.44 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 177? dec. Alfa-Aesar
Melting_Point ca 177° dec. Alfa-Aesar

Activity (Go SEA)

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