UCSF

ZINC34335884

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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-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic 1-cyclopropyl-6-fluoro-5,8-dimet…

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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) 2.46 12.42 -104.05 1 6 0 70 373.428 3 ↓
Hi High (pH 8-9.5) 2.46 10.05 -64.72 0 6 -1 69 372.42 3 ↓
Mid Mid (pH 6-8) 2.46 10.42 -57.56 2 6 1 67 374.436 3 ↓
Lo Low (pH 4.5-6) -1.12 9.92 -80.67 2 6 1 73 374.436 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0287951A2; EP0287951B1; EP0565132A2; EP0565132A3; EP0565132B1; EP0823413A3; US5495020; US5591744 IBM Patent Data

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