UCSF

ZINC22064405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 3.69 7.24 -20.99 2 8 0 107 475.592 10
Mid Mid (pH 6-8) 3.69 7.31 -45.77 1 8 -1 109 474.584 10

Activity (Go SEA)

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