UCSF

ZINC48341975

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 26 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) 3.32 7.92 -45.05 2 6 1 55 374.848 3
Mid Mid (pH 6-8) 3.32 5.56 -10.36 1 6 0 54 373.84 3

Activity (Go SEA)

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