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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic 7-(butylaminomethyl)-1-cycloprop…

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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) 0.99 9.89 -97.78 2 5 0 79 350.365 7 ↓
Mid Mid (pH 6-8) 0.99 8.48 -60.06 1 5 -1 74 349.357 7 ↓
Lo Low (pH 4.5-6) 0.99 9 -80.31 3 5 1 82 351.373 7 ↓

Analogs

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Popular Name: 1-cyclopropyl-4-oxo-quinoline-2-carboxylic 1-cyclopropyl-4-oxo-quinoline-2-…

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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) 1.12 7.23 -48.56 0 4 -1 62 228.227 2 ↓

Analogs

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Popular Name: 1-cyclopropyl-N-[(2R)-2,3-dihydroxypropyl]-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxamide 1-cyclopropyl-N-[(2R)-2,3-dihydr…

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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) -1.61 1.61 -21.5 3 7 0 101 368.336 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-N-[(2S)-2,3-dihydroxypropyl]-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxamide 1-cyclopropyl-N-[(2S)-2,3-dihydr…

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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) -1.61 1.69 -21.11 3 7 0 101 368.336 6 ↓

Analogs

34964534
34964534

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Popular Name: 7-azido-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic 7-azido-1-cyclopropyl-6,8-difluo…

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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) 1.04 5.46 -55.93 0 7 -1 112 305.22 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic 1-cyclopropyl-8-methoxy-4-oxo-qu…

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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) 0.81 8.19 -69.29 0 5 -1 71 258.253 3 ↓
Mid Mid (pH 6-8) -1.62 6.41 -35.21 1 5 0 73 259.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic 6-chloro-1-cyclopropyl-4-oxo-qui…

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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) 1.46 9.06 -68.25 0 4 -1 62 262.672 2 ↓
Lo Low (pH 4.5-6) -0.98 7.25 -37.05 1 4 0 64 263.68 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-2-carboxylic 1-cyclopropyl-6,7-difluoro-4-oxo…

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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) 0.38 7.36 -38.61 0 4 -1 62 264.207 2 ↓

Parameters Provided:

ring.id = 11556
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 11556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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