UCSF

ZINC36200133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.22 2.09 -35.72 2 5 1 55 249.356 7
Mid Mid (pH 6-8) -0.22 1.45 -12.5 1 5 0 51 248.348 7

Activity (Go SEA)

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