UCSF

ZINC67770556

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 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) 1.63 8.87 -41.35 2 5 1 63 324.404 4
Mid Mid (pH 6-8) 1.63 6.52 -12.46 1 5 0 62 323.396 4

Activity (Go SEA)

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