UCSF

ZINC66167254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 47 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) 3.42 9.76 -27.37 2 11 0 116 649.833 10
Mid Mid (pH 6-8) 3.42 12.02 -55.62 3 11 1 118 650.841 10

Activity (Go SEA)

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

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