UCSF

ZINC13704471

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 No

CAS Number: 69-52-3

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) -0.87 2.43 -55.22 3 7 -1 116 348.404 4
Mid Mid (pH 6-8) -0.87 2.75 -81.85 4 7 0 117 349.412 4

Vendor Notes

Note Type Comments Provided By
Notes Inhibitor of bacterial cell wall synthesisCell culture tested Apollo Scientific Bioactives

Activity (Go SEA)

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