UCSF

ZINC22042441

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) 4.02 10.46 -33.86 1 2 1 8 309.477 5
Hi High (pH 8-9.5) 4.02 8.3 -2.53 0 2 0 6 308.469 5
Hi High (pH 8-9.5) 4.02 10.54 -31.89 1 2 1 8 309.477 5

Activity (Go SEA)

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