UCSF

ZINC43426012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.30 5.58 -26.3 1 4 0 54 213.277 2
Mid Mid (pH 6-8) -0.30 3.56 -44.72 0 4 -1 53 212.269 2

Activity (Go SEA)

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