UCSF

ZINC43442098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 2.18 3.92 -9.83 1 6 0 77 269.345 9
Mid Mid (pH 6-8) 2.18 5.03 -41.67 2 6 1 82 270.353 9

Activity (Go SEA)

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