UCSF

ZINC01269201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 32 Yes

CAS Numbers: 123447-62-1 , 5875-06-9

Other Names:

MFCD00864847

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) 0.16 13.41 -109.46 1 9 0 113 461.471 4
Mid Mid (pH 6-8) 0.16 11.18 -70.68 0 9 -1 112 460.463 4
Lo Low (pH 4.5-6) -2.58 11.31 -108.28 2 9 1 116 462.479 3

Vendor Notes

Note Type Comments Provided By
biological_use Antibacterial agent IBScreen Bioactives IBScreen Bioactives
biological_use Antiseptic IBScreen Bioactives
mechanism Blocker of bacterial DNA replication IBScreen Bioactives IBScreen Bioactives
mechanism Interference with DNA gyrase (supercoiling IBScreen Bioactives
biological_use Prodrug IBScreen Bioactives
mechanism reestablishment of DNA coil integrity during replication) IBScreen Bioactives

Activity (Go SEA)

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