UCSF

ZINC04016387

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) 4.40 1.65 -7.41 0 6 0 74 359.422 8
Mid Mid (pH 6-8) 4.58 0.29 -7.7 0 6 0 74 359.422 8
Mid Mid (pH 6-8) 4.40 1.41 -7.46 0 6 0 74 359.422 8

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 161 KeyOrganics

Activity (Go SEA)

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