UCSF

ZINC65164337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 20 Yes

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) 1.70 4.77 -12.41 1 5 0 66 295.339 2
Mid Mid (pH 6-8) 1.70 5.25 -42.79 2 5 1 67 296.347 2
Mid Mid (pH 6-8) 1.70 5.25 -42.77 2 5 1 67 296.347 2

Activity (Go SEA)

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

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