UCSF

ZINC22041620

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) 3.00 8.22 -36.31 2 4 1 43 279.404 10
Hi High (pH 8-9.5) 3.00 6.06 -5.24 1 4 0 42 278.396 10
Mid Mid (pH 6-8) 3.00 7.26 -41.3 2 4 1 46 279.404 10
Mid Mid (pH 6-8) 3.00 9.4 -115.97 3 4 2 47 280.412 10

Activity (Go SEA)

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