UCSF

ZINC43562073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 43 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) 9.13 22.13 -203.51 2 9 -3 162 609.869 31
Lo Low (pH 4.5-6) 9.13 20.14 -122.67 3 9 -2 159 610.877 31

Activity (Go SEA)

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