UCSF

ZINC02379277

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) 3.91 12.06 -52.37 0 3 -1 57 339.37 3
Hi High (pH 8-9.5) 3.46 4.67 -3.91 0 1 0 9 164.195 3
Lo Low (pH 4.5-6) 3.53 12.1 -12.28 0 3 0 51 340.378 4

Activity (Go SEA)

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