UCSF

ZINC25491363

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 15 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) 0.19 2.55 -6.86 6 6 0 107 208.269 1
Mid Mid (pH 6-8) 0.19 3.05 -23.29 7 6 1 108 209.277 1

Activity (Go SEA)

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