UCSF

ZINC19144653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

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) 0.39 1.31 -117.82 6 10 -1 188 477.877 2
Hi High (pH 8-9.5) 0.39 -0.52 -120.87 5 10 -2 187 476.869 2
Hi High (pH 8-9.5) -0.06 0.79 -233.48 4 10 -3 190 475.861 2
Mid Mid (pH 6-8) -0.64 1.36 -119.72 5 10 -1 185 477.877 2
Mid Mid (pH 6-8) -0.64 0.66 -66.25 6 10 0 182 478.885 2
Mid Mid (pH 6-8) -0.06 1.33 -119.08 6 10 -1 188 477.877 2
Mid Mid (pH 6-8) -0.06 -0.2 -134.55 5 10 -2 187 476.869 2

Activity (Go SEA)

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