UCSF

ZINC42555326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 3.39 9.32 -122.71 4 2 2 32 276.468 8
Mid Mid (pH 6-8) 3.39 8.07 -45.83 3 2 1 31 275.46 8

Activity (Go SEA)

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