UCSF

ZINC25525606

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) 3.04 7.47 -82.99 1 8 -1 113 414.463 6
Hi High (pH 8-9.5) 3.04 7.53 -137.17 0 8 -2 115 413.455 6

Activity (Go SEA)

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