UCSF

ZINC33825361

Annotations

Vendors

    None

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) 1.86 4.26 -8.68 0 6 0 54 349.456 6
Mid Mid (pH 6-8) 1.86 5.18 -8.41 0 6 0 54 349.456 6
Mid Mid (pH 6-8) 1.86 6.66 -39.62 1 6 1 56 350.464 6
Mid Mid (pH 6-8) 1.86 7.45 -39.84 1 6 1 56 350.464 6

Activity (Go SEA)

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