UCSF

ZINC05200855

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 28 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) 3.37 10.84 -65.31 2 8 1 92 405.862 5
Mid Mid (pH 6-8) 3.37 8.41 -16.5 1 8 0 91 404.854 5

Activity (Go SEA)

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