UCSF

ZINC39306982

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 3.05 7.37 -13.35 1 5 0 59 324.38 5
Lo Low (pH 4.5-6) 3.05 9.56 -52.82 2 5 1 60 325.388 5

Activity (Go SEA)

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