UCSF

ZINC25080047

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 31 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) 1.57 2.37 -21.82 3 8 0 108 464.613 9
Mid Mid (pH 6-8) 1.57 4.79 -54.96 4 8 1 109 465.621 9

Activity (Go SEA)

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