UCSF

ZINC43394805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.44 4.6 -34.37 4 3 1 60 235.351 5
Hi High (pH 8-9.5) 2.44 3.7 -6.83 3 3 0 55 234.343 5

Activity (Go SEA)

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