UCSF

ZINC39121850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 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) -0.40 -1.98 -12.06 2 5 0 80 217.246 5

Activity (Go SEA)

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