UCSF

ZINC05376266

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 24 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) 4.19 7.1 -14.54 1 5 0 60 340.404 5
Mid Mid (pH 6-8) 4.19 6.62 -45.93 0 5 -1 63 339.396 5

Activity (Go SEA)

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