UCSF

ZINC43587182

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 41 No

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) 8.74 20.57 -203.34 2 9 -3 162 581.815 29
Lo Low (pH 4.5-6) 8.74 18.59 -122.61 3 9 -2 159 582.823 29

Activity (Go SEA)

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