UCSF

ZINC43544031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 46 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) 8.90 20.02 -52.77 2 8 1 77 642.268 12
Mid Mid (pH 6-8) 8.90 17.79 -10.96 1 8 0 76 641.26 12

Activity (Go SEA)

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