UCSF

ZINC34829685

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 4.49 15.02 -49.54 1 6 1 54 518.703 6
Mid Mid (pH 6-8) 4.49 13.31 -14.71 0 6 0 53 517.695 6

Activity (Go SEA)

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