UCSF

ZINC05386377

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 36 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) -2.49 7.6 -134.46 6 14 -2 225 519.902 10
Lo Low (pH 4.5-6) -2.49 5.62 -79.94 7 14 -1 223 520.91 10

Activity (Go SEA)

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