UCSF

ZINC30116745

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 27 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) 4.65 7.77 -7.72 1 4 0 55 374.362 5
Mid Mid (pH 6-8) 4.72 6.67 -37.99 2 4 1 60 375.37 5

Activity (Go SEA)

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