UCSF

ZINC34878233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 6.52 13.88 -13.69 1 6 0 65 515.679 11
Mid Mid (pH 6-8) 6.52 14.39 -38.37 2 6 1 67 516.687 11

Activity (Go SEA)

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