UCSF

ZINC35734950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 Yes

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) -0.76 2.41 -6.62 3 4 0 64 248.326 4
Mid Mid (pH 6-8) -0.76 2.75 -42.45 4 4 1 66 249.334 4

Activity (Go SEA)

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