UCSF

ZINC26536165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 28 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) 1.85 3.54 -23.37 3 7 0 110 421.906 5
Mid Mid (pH 6-8) 1.85 3.61 -46.79 2 7 -1 112 420.898 5

Activity (Go SEA)

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