UCSF

ZINC25513627

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 3.86 10.96 -23.51 1 7 0 78 414.531 9
Hi High (pH 8-9.5) 3.93 10.06 -48.83 0 7 -1 85 413.523 9

Activity (Go SEA)

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