UCSF

ZINC72186786

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) -6.11 -24.03 -318.73 23 19 4 360 618.682 9
Hi High (pH 8-9.5) -6.11 -24.49 -209.12 22 19 3 358 617.674 9
Hi High (pH 8-9.5) -6.11 -24.75 -106.48 21 19 2 356 616.666 9
Mid Mid (pH 6-8) -6.11 -23.61 -454.35 24 19 5 361 619.69 9
Mid Mid (pH 6-8) -6.11 -23.13 -557.32 25 19 6 363 620.698 9
Mid Mid (pH 6-8) -6.11 -23.51 -404.89 24 19 5 361 619.69 9

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.