UCSF

ZINC31570584

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) 4.93 12.55 -43.62 1 5 1 43 439.62 12
Mid Mid (pH 6-8) 4.93 12.5 -46.42 1 5 1 43 439.62 12
Mid Mid (pH 6-8) 4.93 10.24 -8.67 0 5 0 42 438.612 12

Activity (Go SEA)

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