UCSF

ZINC25513678

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 4.90 11.6 -18.39 1 5 0 60 414.943 4
Hi High (pH 8-9.5) 4.96 10.49 -47.86 0 5 -1 66 413.935 4

Activity (Go SEA)

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