UCSF

ZINC05821669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 18 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) 2.02 4.49 -46.68 4 5 1 83 259.37 10
Mid Mid (pH 6-8) 2.02 4.19 -8.66 3 5 0 81 258.362 10

Activity (Go SEA)

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