UCSF

ZINC34861432

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.05 13.63 -13.46 1 8 0 84 496.567 7
Mid Mid (pH 6-8) 5.05 14.09 -31.3 2 8 1 85 497.575 7

Activity (Go SEA)

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