UCSF

ZINC25492269

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.31 2.28 -49.58 1 5 -1 86 232.013 1
Hi High (pH 8-9.5) 0.77 -0.74 -103.64 0 5 -2 89 231.005 1

Activity (Go SEA)

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