UCSF

ZINC00044038

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) 4.29 -0.16 -9.84 1 3 0 41 300.427 6
Lo Low (pH 4.5-6) 4.29 -0.02 -40.17 2 3 1 43 301.435 6

Vendor Notes

Note Type Comments Provided By
melting_point 90 - 91 KeyOrganics

Activity (Go SEA)

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