UCSF

ZINC17193981

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) 3.70 2.18 -8.66 0 5 0 56 329.444 4
Mid Mid (pH 6-8) 3.70 3.47 -36.06 1 5 1 58 330.452 4
Mid Mid (pH 6-8) 3.70 3.46 -36.01 1 5 1 58 330.452 4
Lo Low (pH 4.5-6) 3.70 4.72 -80.83 2 5 2 59 331.46 4

Activity (Go SEA)

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