UCSF

ZINC25513624

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) 3.55 10.86 -23.38 1 7 0 78 414.531 8
Hi High (pH 8-9.5) 3.61 9.96 -48.97 0 7 -1 85 413.523 8

Activity (Go SEA)

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