UCSF

ZINC06786468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 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) 0.98 2.53 -68.79 2 8 -1 119 412.418 9
Mid Mid (pH 6-8) 1.42 1.04 -28.58 3 8 0 117 413.426 8
Mid Mid (pH 6-8) 0.39 1.87 -22.65 2 8 0 113 413.426 9

Activity (Go SEA)

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