UCSF

ZINC39230151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 2.66 9.26 -40.45 2 5 1 59 339.463 6
Mid Mid (pH 6-8) 2.66 8.79 -11.13 1 5 0 58 338.455 6

Activity (Go SEA)

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