UCSF

ZINC70454179

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) 6.24 10.29 -13.21 1 8 0 73 608.735 3
Hi High (pH 8-9.5) 6.24 11.21 -61.2 0 8 -1 76 607.727 3
Mid Mid (pH 6-8) 6.24 13.45 -49.94 2 8 1 74 609.743 3
Lo Low (pH 4.5-6) 6.24 16.53 -97.06 3 8 2 75 610.751 3

Activity (Go SEA)

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

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