UCSF

ZINC59211346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 10 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) -0.79 -0.86 -50.68 1 4 0 77 160.174 2
Mid Mid (pH 6-8) -0.79 -2.84 -65.2 1 4 0 73 160.174 2

Activity (Go SEA)

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

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