UCSF

ZINC24882948

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 29 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) 2.54 4.35 -54.83 2 8 -1 120 412.447 6
Lo Low (pH 4.5-6) 2.54 4.37 -23.81 3 8 0 118 413.455 6

Activity (Go SEA)

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