UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42255368
42255368
42255376
42255376

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Popular Name: 6,8-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,8-dimethyl-3,4-dihydro-1H-thio…

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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) 3.47 9.1 -55.84 0 3 -1 53 272.349 1 ↓
Lo Low (pH 4.5-6) 3.47 9.41 -49.12 1 3 0 54 273.357 1 ↓

Analogs

42255392
42255392

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Popular Name: 3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 3,4-dihydro-1H-thiopyrano[4,3-b]…

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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) 2.67 7.63 -53.83 0 3 -1 53 244.295 1 ↓
Lo Low (pH 4.5-6) 2.67 8 -51.39 1 3 0 54 245.303 1 ↓

Analogs

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Popular Name: 8-nitro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-nitro-3,4-dihydro-1H-thiopyran…

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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) 2.60 8.33 -52.37 0 6 -1 99 289.292 2 ↓

Analogs

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Popular Name: 8-bromo-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-bromo-3,4-dihydro-1H-thiopyran…

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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) 3.45 8.24 -50.67 0 3 -1 53 323.191 1 ↓

Analogs

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Popular Name: 6,8-dichloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,8-dichloro-3,4-dihydro-1H-thio…

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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) 3.93 8.73 -46.06 0 3 -1 53 313.185 1 ↓

Analogs

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Popular Name: 8-chloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-chloro-3,4-dihydro-1H-thiopyra…

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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) 3.32 8.13 -51.32 0 3 -1 53 278.74 1 ↓

Analogs

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Popular Name: 6,8-dibromo-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,8-dibromo-3,4-dihydro-1H-thiop…

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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) 4.19 8.96 -45.73 0 3 -1 53 402.087 1 ↓

Analogs

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Popular Name: 6-bromo-8-fluoro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6-bromo-8-fluoro-3,4-dihydro-1H-…

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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) 2.57 8.41 -46.87 0 3 -1 53 341.181 1 ↓

Analogs

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Popular Name: 8-fluoro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-fluoro-3,4-dihydro-1H-thiopyra…

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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) 1.83 7.7 -52.83 0 3 -1 53 262.285 1 ↓

Analogs

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Popular Name: 6-bromo-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6-bromo-3,4-dihydro-1H-thiopyran…

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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) 3.43 8.35 -49.36 0 3 -1 53 323.191 1 ↓

Analogs

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Popular Name: 7,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 7,9-dimethyl-3,4-dihydro-1H-thio…

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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) 3.47 8.7 -51.48 0 3 -1 53 272.349 1 ↓
Mid Mid (pH 6-8) 3.47 9.06 -47.06 1 3 0 54 273.357 1 ↓

Analogs

42255376
42255376
42255285
42255285

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6-methyl-3,4-dihydro-1H-thiopyra…

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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) 3.07 8.45 -54.56 0 3 -1 53 258.322 1 ↓
Lo Low (pH 4.5-6) 3.07 8.76 -48.49 1 3 0 54 259.33 1 ↓

Analogs

42255285
42255285
42255368
42255368

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,7-dimethyl-3,4-dihydro-1H-thio…

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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) 3.47 9 -54.91 0 3 -1 53 272.349 1 ↓
Mid Mid (pH 6-8) 3.47 9.31 -47.74 1 3 0 54 273.357 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methoxy-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-methoxy-3,4-dihydro-1H-thiopyr…

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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) 2.70 6.93 -59.12 0 4 -1 62 274.321 2 ↓
Lo Low (pH 4.5-6) 2.70 7.3 -58.01 1 4 0 63 275.329 2 ↓

Analogs

42255293
42255293

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Popular Name: 8-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-methyl-3,4-dihydro-1H-thiopyra…

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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) 3.09 8.29 -55.06 0 3 -1 53 258.322 1 ↓
Lo Low (pH 4.5-6) 3.09 8.65 -52.06 1 3 0 54 259.33 1 ↓

Analogs

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Popular Name: 8-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-ethyl-3,4-dihydro-1H-thiopyran…

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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) 3.56 9.05 -55.43 0 3 -1 53 272.349 2 ↓
Lo Low (pH 4.5-6) 3.56 9.41 -52.47 1 3 0 54 273.357 2 ↓

Analogs

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Popular Name: 9-bromo-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 9-bromo-3,4-dihydro-1H-thiopyran…

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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) 3.43 8 -52.26 0 3 -1 53 323.191 1 ↓

Analogs

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Popular Name: 7-bromo-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 7-bromo-3,4-dihydro-1H-thiopyran…

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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) 3.45 8.24 -47.52 0 3 -1 53 323.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,9-dimethyl-3,4-dihydro-1H-thio…

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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) 3.47 8.84 -52.28 0 3 -1 53 272.349 1 ↓
Mid Mid (pH 6-8) 3.47 9.15 -46.14 1 3 0 54 273.357 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6-chloro-3,4-dihydro-1H-thiopyra…

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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) 3.30 8.22 -49.43 0 3 -1 53 278.74 1 ↓

Analogs

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Popular Name: 6,8-difluoro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,8-difluoro-3,4-dihydro-1H-thio…

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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) 1.93 7.82 -46.13 0 3 -1 53 280.275 1 ↓

Analogs

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Popular Name: 6,7-dichloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6,7-dichloro-3,4-dihydro-1H-thio…

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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) 3.93 8.68 -44.52 0 3 -1 53 313.185 1 ↓

Analogs

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Popular Name: 6-fluoro-8-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 6-fluoro-8-methyl-3,4-dihydro-1H…

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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) 3.18 8.37 -50.12 0 3 -1 53 276.312 1 ↓

Analogs

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Popular Name: 8-bromo-6-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 8-bromo-6-methyl-3,4-dihydro-1H-…

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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) 3.83 9.06 -51.43 0 3 -1 53 337.218 1 ↓

Analogs

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Popular Name: 9-chloro-6-fluoro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 9-chloro-6-fluoro-3,4-dihydro-1H…

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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) 3.41 8.05 -49.01 0 3 -1 53 296.73 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 7-methoxy-3,4-dihydro-1H-thiopyr…

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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) 2.70 6.93 -50.54 0 4 -1 62 274.321 2 ↓
Lo Low (pH 4.5-6) 2.70 7.3 -45.49 1 4 0 63 275.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic 7-chloro-3,4-dihydro-1H-thiopyra…

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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) 3.32 8.15 -47.41 0 3 -1 53 278.74 1 ↓

Parameters Provided:

ring.id = 616809
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 = 616809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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