UCSF

ZINC14233795

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 27 Yes

Popular Name: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-5-methyl-4-oxo-quinoline-3-carboxylic 1-cyclopropyl-7-[(3S,5R)-3,5-dim…

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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) 2.50 10.94 -96.18 2 6 0 82 373.428 3 ↓
Mid Mid (pH 6-8) -1.09 9.11 -81.65 3 6 1 85 374.436 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0319906A2 IBM Patent Data

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Rings

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

No pre-computed analogs available. Try a structural similarity search.