UCSF

ZINC14233793

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 28 Yes

Popular Name: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-methyl-4-oxo-quinoline-3-carboxy 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) 2.59 11.04 -87.77 2 6 0 82 391.418 3 ↓
Mid Mid (pH 6-8) -0.99 9.02 -70.81 3 6 1 85 392.426 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.