UCSF

ZINC39587783

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 28 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) 3.29 7.72 -13.77 3 7 0 105 404.85 7
Hi High (pH 8-9.5) 3.29 8.73 -50.02 2 7 -1 108 403.842 7

Activity (Go SEA)

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