UCSF

ZINC03795983

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 28 Yes

Popular Name: Sitafloxacin Sitafloxacin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127254-12-0 , 163253-35-8 , 163253-37-0

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) -0.19 10.05 -104.06 3 6 0 93 409.82 3 ↓
Mid Mid (pH 6-8) -2.94 7.44 -82.47 4 6 1 96 410.828 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5587386 IBM Patent Data

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