UCSF

ZINC19685777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 35 No

CAS Number: 12650-69-0

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) 3.53 4.47 -57.21 3 9 -1 149 499.621 17
Lo Low (pH 4.5-6) 3.53 3.35 -18.8 4 9 0 146 500.629 17

Vendor Notes

Note Type Comments Provided By
mechanism Binds to bacterial isoleucyl-tRNA synthetase, which halts the incorporation of isoleucine into bacterial proteins IBScreen Bioactives
biological_use Broad spectrum antibiotic effective against gram-positive organisms IBScreen Bioactives

Activity (Go SEA)

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