UCSF

ZINC02541462

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) 2.02 2.3 -9.25 2 4 0 62 191.186 2
Ref Reference (pH 7) 1.93 2.2 -12.05 1 4 0 59 191.186 2
Hi High (pH 8-9.5) 1.93 2.95 -44.72 0 4 -1 62 190.178 2
Mid Mid (pH 6-8) 0.81 3.12 -38.89 0 4 -1 62 190.178 2
Lo Low (pH 4.5-6) 1.93 2.63 -44.8 2 4 1 61 192.194 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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