UCSF

ZINC05315604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 34 No

Download: MOL2 SDF SMILES Flexibase

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) 5.72 11.39 -46.98 1 6 -1 88 499.37 9
Mid Mid (pH 6-8) 5.44 11.56 -19.44 1 6 0 82 500.378 10
Mid Mid (pH 6-8) 5.44 11.35 -19.55 1 6 0 82 500.378 10

Activity (Go SEA)

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

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