UCSF

ZINC25449704

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 3.80 6.62 -29.72 2 9 0 120 494.554 7
Mid Mid (pH 6-8) 3.87 5.72 -55.85 1 9 -1 126 493.546 7

Activity (Go SEA)

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