UCSF

ZINC28332683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 16 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) -0.35 3.07 -48.82 4 5 1 83 249.356 8
Hi High (pH 8-9.5) -0.35 2.77 -17.31 3 5 0 81 248.348 8

Activity (Go SEA)

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