UCSF

ZINC43434982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.68 3.47 -38.7 3 5 1 72 262.37 10
Mid Mid (pH 6-8) 1.68 2.56 -5.94 2 5 0 68 261.362 10

Activity (Go SEA)

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