UCSF

ZINC43437482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 3.60 6.72 -112.21 5 2 2 44 228.424 6
Mid Mid (pH 6-8) 3.60 6.47 -30.96 4 2 1 43 227.416 6

Activity (Go SEA)

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