UCSF

ZINC13544115

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) -0.28 5.63 -50.12 2 5 -1 81 260.248 2
Mid Mid (pH 6-8) -0.28 6.7 -30.59 3 5 0 85 261.256 2
Lo Low (pH 4.5-6) -0.28 6.09 -56.66 3 5 0 82 261.256 2
Lo Low (pH 4.5-6) -0.28 7.17 -78.14 4 5 1 87 262.264 2

Activity (Go SEA)

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