UCSF

ZINC66148296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 39 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) 6.23 10.66 -18.39 1 8 0 96 528.605 7
Mid Mid (pH 6-8) 6.23 11.5 -61.85 0 8 -1 98 527.597 7

Activity (Go SEA)

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

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