UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3757691
3757691
3148572
3148572

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Popular Name: 7-methoxy-2-(2-pyridyl)quinoline-4-carboxylic 7-methoxy-2-(2-pyridyl)quinoline…

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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) 2.52 6.76 -52.2 0 5 -1 75 279.275 3 ↓
Lo Low (pH 4.5-6) 2.52 7.1 -52.07 1 5 0 76 280.283 3 ↓
Lo Low (pH 4.5-6) 2.52 7.08 -39.21 1 5 0 76 280.283 3 ↓

Analogs

3756624
3756624
28443426
28443426

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Popular Name: 8-bromo-6-fluoro-2-(2-pyridyl)quinoline-4-carboxylic 8-bromo-6-fluoro-2-(2-pyridyl)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) 2.40 8.29 -48.12 0 4 -1 66 346.135 2 ↓

Analogs

2521465
2521465

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Popular Name: 7,8-dichloro-2-(2-pyridyl)quinoline-4-carboxylic 7,8-dichloro-2-(2-pyridyl)quinol…

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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) 3.75 8.57 -45.99 0 4 -1 66 318.139 2 ↓

Analogs

3757199
3757199

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Popular Name: 8-fluoro-6-methyl-2-(2-pyridyl)quinoline-4-carboxylic 8-fluoro-6-methyl-2-(2-pyridyl)q…

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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) 3.01 8.25 -51.96 0 4 -1 66 281.266 2 ↓
Lo Low (pH 4.5-6) 3.01 8.58 -51.29 1 4 0 67 282.274 2 ↓

Analogs

224947
224947

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Popular Name: 6-bromo-8-methyl-2-(2-pyridyl)quinoline-4-carboxylic 6-bromo-8-methyl-2-(2-pyridyl)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) 3.65 8.93 -52.99 0 4 -1 66 342.172 2 ↓

Analogs

3757199
3757199

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Popular Name: 5-chloro-8-fluoro-2-(2-pyridyl)quinoline-4-carboxylic 5-chloro-8-fluoro-2-(2-pyridyl)q…

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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) 3.24 8.08 -54.25 0 4 -1 66 301.684 2 ↓

Analogs

2521469
2521469

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Popular Name: 7-chloro-2-(2-pyridyl)quinoline-4-carboxylic 7-chloro-2-(2-pyridyl)quinoline-…

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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) 3.15 8.01 -49.06 0 4 -1 66 283.694 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-difluoro-2-(2-pyridyl)quinoline-4-carboxylic 5,7-difluoro-2-(2-pyridyl)quinol…

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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) 2.72 7.7 -55.35 0 4 -1 66 285.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-7-fluoro-2-(2-pyridyl)quinoline-4-carboxylic 6-bromo-7-fluoro-2-(2-pyridyl)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) 3.37 8.14 -46.28 0 4 -1 66 346.135 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-pyridyl)quinoline-4-carboxylic 5-chloro-2-(2-pyridyl)quinoline-…

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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) 3.12 7.98 -59.28 0 4 -1 66 283.694 2 ↓

Parameters Provided:

ring.id = 562968
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 = 562968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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