UCSF

ZINC05200805

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 29 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) 4.24 11.82 -52.38 2 6 1 63 414.913 6
Mid Mid (pH 6-8) 4.24 9.47 -10.62 1 6 0 62 413.905 6

Activity (Go SEA)

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