UCSF

ZINC33829382

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) 3.63 9.66 -114.6 5 2 2 44 310.485 7
Hi High (pH 8-9.5) 3.63 9.29 -41.71 4 2 1 43 309.477 7
Hi High (pH 8-9.5) 3.63 8.53 -43.62 4 2 1 40 309.477 7

Activity (Go SEA)

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