UCSF

ZINC34335890

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 27 Yes

Popular Name: 1-cyclopropyl-6-fluoro-5,8-dimethyl-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic 1-cyclopropyl-6-fluoro-5,8-dimet…

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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) 2.55 11.07 -101.35 2 6 0 82 373.428 3 ↓
Hi High (pH 8-9.5) 2.55 9.82 -65.03 1 6 -1 77 372.42 3 ↓
Mid Mid (pH 6-8) 2.55 9.06 -54.87 3 6 1 79 374.436 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0287951A2; EP0287951B1; EP0326891A2; EP0398967A1; EP0565132A3; EP0823413A3; US4920120; US5495020; US5585491; US5591744 IBM Patent Data

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