UCSF

ZINC39956578

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 No

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) 0.42 3.27 -8.18 1 8 0 107 277.284 5
Mid Mid (pH 6-8) 0.42 5.54 -47.62 2 8 1 108 278.292 5

Activity (Go SEA)

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