UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11987889
11987889

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Popular Name: (3R)-8-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-8-fluoro-3-(2-thienyl)-1,2,…

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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) 3.40 -0.71 -4.39 1 1 0 12 233.311 1 ↓

Analogs

11987888
11987888

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Popular Name: (3S)-8-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-8-fluoro-3-(2-thienyl)-1,2,…

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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) 3.40 -0.75 -3.9 1 1 0 12 233.311 1 ↓

Analogs

11987892
11987892

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Popular Name: (3R)-7-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-fluoro-3-(2-thienyl)-1,2,…

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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) 3.42 -0.53 -3.72 1 1 0 12 233.311 1 ↓

Analogs

11987891
11987891

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Popular Name: (3S)-7-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-fluoro-3-(2-thienyl)-1,2,…

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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) 3.42 -0.53 -3.75 1 1 0 12 233.311 1 ↓

Analogs

11987895
11987895

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Popular Name: (3S)-6-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-6-fluoro-3-(2-thienyl)-1,2,…

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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) 3.42 -0.53 -4.03 1 1 0 12 233.311 1 ↓

Analogs

11987894
11987894

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Popular Name: (3R)-6-fluoro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-6-fluoro-3-(2-thienyl)-1,2,…

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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) 3.42 -0.53 -4.03 1 1 0 12 233.311 1 ↓

Analogs

11987899
11987899

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Popular Name: (3R)-8-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-8-chloro-3-(2-thienyl)-1,2,…

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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) 3.91 -1.41 -3.48 1 1 0 12 249.766 1 ↓

Analogs

11987897
11987897

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-8-chloro-3-(2-thienyl)-1,2,…

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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) 3.91 -1.47 -3.13 1 1 0 12 249.766 1 ↓

Analogs

11987903
11987903

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-7-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-chloro-3-(2-thienyl)-1,2,…

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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) 3.94 -1.42 -3.17 1 1 0 12 249.766 1 ↓

Analogs

11987901
11987901

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-7-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-chloro-3-(2-thienyl)-1,2,…

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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) 3.94 -1.42 -3.18 1 1 0 12 249.766 1 ↓

Analogs

11987905
11987905

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Popular Name: (3S)-6-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-6-chloro-3-(2-thienyl)-1,2,…

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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) 3.94 -1.42 -3.37 1 1 0 12 249.766 1 ↓

Analogs

11987904
11987904

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Popular Name: (3R)-6-chloro-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-6-chloro-3-(2-thienyl)-1,2,…

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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) 3.94 -1.42 -3.37 1 1 0 12 249.766 1 ↓

Analogs

11987924
11987924

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-6-chloro-8-methyl-3-(2-thie…

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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) 3.38 -0.94 -3.15 1 1 0 12 263.793 1 ↓

Analogs

11987922
11987922

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-6-chloro-8-methyl-3-(2-thie…

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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) 3.38 -0.94 -3.12 1 1 0 12 263.793 1 ↓

Analogs

11987930
11987930

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-7-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-chloro-8-methyl-3-(2-thie…

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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) 3.38 -1.1 -3.22 1 1 0 12 263.793 1 ↓

Analogs

11987929
11987929

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Popular Name: (3S)-7-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-chloro-8-methyl-3-(2-thie…

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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) 3.38 -1.1 -3.2 1 1 0 12 263.793 1 ↓

Analogs

11987934
11987934

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Popular Name: (3R)-5-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-5-chloro-8-methyl-3-(2-thie…

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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) 3.38 -0.96 -3.6 1 1 0 12 263.793 1 ↓

Analogs

11987932
11987932

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-8-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-5-chloro-8-methyl-3-(2-thie…

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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) 3.38 -0.96 -3.58 1 1 0 12 263.793 1 ↓

Analogs

11987937
11987937

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Popular Name: (3R)-7-chloro-6-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-chloro-6-methyl-3-(2-thie…

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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) 4.31 -1.1 -3.29 1 1 0 12 263.793 1 ↓

Analogs

11987936
11987936

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-7-chloro-6-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-chloro-6-methyl-3-(2-thie…

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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) 4.31 -1.11 -3.29 1 1 0 12 263.793 1 ↓

Analogs

11987940
11987940

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Popular Name: (3R)-7-chloro-6-methoxy-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-chloro-6-methoxy-3-(2-thi…

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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) 3.92 -1.36 -5.06 1 2 0 21 279.792 2 ↓

Analogs

11987939
11987939

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-7-chloro-6-methoxy-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-chloro-6-methoxy-3-(2-thi…

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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) 3.92 -1.36 -5.05 1 2 0 21 279.792 2 ↓

Analogs

11987943
11987943

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-chloro-7-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-6-chloro-7-methyl-3-(2-thie…

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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) 4.31 -1.11 -3.46 1 1 0 12 263.793 1 ↓

Analogs

11987942
11987942

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-chloro-7-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-6-chloro-7-methyl-3-(2-thie…

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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) 4.31 -1.1 -3.48 1 1 0 12 263.793 1 ↓

Analogs

11987951
11987951

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-7-chloro-8-methoxy-5-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3R)-7-chloro-8-methoxy-5-methyl…

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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) 4.30 -0.98 -3.96 1 2 0 21 293.819 2 ↓

Analogs

11987949
11987949

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-7-chloro-8-methoxy-5-methyl-3-(2-thienyl)-1,2,3,4-tetrahydroquinoline (3S)-7-chloro-8-methoxy-5-methyl…

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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) 4.30 -0.97 -5.06 1 2 0 21 293.819 2 ↓

Parameters Provided:

ring.id = 65663
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 = 65663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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