UCSF

ZINC40440617

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 No

Popular Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-(2-oxopropyl)-1-piperazinyl)-; BRN 6576842; LS-141594 3-Quinolinecarboxylic acid, 1,4-…

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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) -0.55 9.38 -68.5 0 7 -1 86 374.392 5 ↓
Mid Mid (pH 6-8) -0.55 7.37 -18.75 1 7 0 83 375.4 5 ↓
Mid Mid (pH 6-8) -0.55 11.54 -98.8 1 7 0 87 375.4 5 ↓
Mid Mid (pH 6-8) -3.29 7.41 -32.39 1 7 0 89 375.4 4 ↓
Lo Low (pH 4.5-6) -0.55 9.54 -55.22 2 7 1 84 376.408 5 ↓
Lo Low (pH 4.5-6) -3.30 9.54 -84.36 2 7 1 90 376.408 4 ↓

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Rings

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

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