UCSF

ZINC57932913

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 24 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) 3.70 9.47 -44.84 3 4 1 46 350.552 8
Mid Mid (pH 6-8) 3.70 7.37 -8.61 2 4 0 44 349.544 8

Activity (Go SEA)

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

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