UCSF

ZINC25362737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 19 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) 2.96 6.92 -110.1 3 4 2 40 331.254 5
Mid Mid (pH 6-8) 2.96 5.85 -33.55 2 4 1 35 330.246 5

Activity (Go SEA)

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