UCSF

ZINC71928273

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 40 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) -5.46 -16.1 -166.81 20 19 3 347 586.62 9
Mid Mid (pH 6-8) -5.46 -17.11 -103.05 19 19 2 343 585.612 9

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial (tuberculostatic) SMDC MicroSource

Activity (Go SEA)

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

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