UCSF

ZINC44609245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.83 5.79 -93.64 3 3 2 34 241.404 4
Mid Mid (pH 6-8) 0.83 3.77 -37.98 2 3 1 33 240.396 4

Activity (Go SEA)

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