UCSF

ZINC48488922

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 19 No

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) 0.96 3.3 -8.08 2 5 0 71 257.293 3
Lo Low (pH 4.5-6) 0.96 3.77 -38.72 3 5 1 72 258.301 3

Activity (Go SEA)

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