UCSF

ZINC49735198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 40 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) -5.35 -16.6 -68.54 19 19 0 344 584.604 9
Mid Mid (pH 6-8) -5.35 -17.14 -50.83 18 19 0 340 583.596 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.