UCSF

ZINC19796121

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 Yes

Popular Name: moxifloxacin hydrochloride moxifloxacin hydrochloride

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CAS Number: 186826-86-8

Other Names:

AVELOX

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) 0.37 12.01 -173.21 3 7 1 92 430.5 5 ↓
Hi High (pH 8-9.5) 0.37 10.15 -62.86 1 7 -1 87 428.484 5 ↓
Mid Mid (pH 6-8) 0.37 10.76 -91.73 2 7 0 88 429.492 5 ↓
Mid Mid (pH 6-8) 0.37 11.38 -100.78 2 7 0 91 429.492 5 ↓
Lo Low (pH 4.5-6) 0.37 10.01 -138.16 4 7 2 90 431.508 5 ↓
Lo Low (pH 4.5-6) 0.37 11.21 -165.59 4 7 0 96 431.508 5 ↓
Lo Low (pH 4.5-6) 0.37 10.57 -73.89 3 7 0 94 430.5 5 ↓

Vendor Notes

Note Type Comments Provided By
therap antibacterial MicroSource Spectrum
Therapy antibiotic SMDC MicroSource

Activity (Go SEA)

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