UCSF

ZINC56667778

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 13 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) 0.77 5.36 -22.54 2 4 0 57 194.263 2
Mid Mid (pH 6-8) 1.50 4.99 -50.94 1 4 -1 54 193.255 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.