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

Analogs

703804
703804
38694598
38694598
38693224
38693224

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-3-pyridyl)sulfonyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-bromo-3-pyridyl)sulfonyl]-…

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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) 2.39 3.57 -9.09 2 5 0 76 368.256 2 ↓

Analogs

44243702
44243702

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Popular Name: (2R)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,4-dihydro-2H-quinoline (2R)-1-[(5-bromo-3-pyridyl)sulfo…

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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) 3.67 6.54 -8.07 0 4 0 50 367.268 2 ↓

Analogs

44243702
44243702

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Popular Name: (2S)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,4-dihydro-2H-quinoline (2S)-1-[(5-bromo-3-pyridyl)sulfo…

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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) 3.67 6.2 -8.28 0 4 0 50 367.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,2,3,4-tetrahydroquinoline 1-[(5,6-dichloro-3-pyridinyl)sul…

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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) 4.01 5.98 -7.96 0 4 0 50 343.235 2 ↓

Analogs

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Popular Name: 6-chloro-8-fluoro-1-(3-pyridylsulfonyl)-3,4-dihydro-2H-quinoline 6-chloro-8-fluoro-1-(3-pyridylsu…

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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) 3.13 5.55 -13.11 0 4 0 50 326.78 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(6-chloro-3-pyridyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline 5-chloro-1-[(6-chloro-3-pyridyl)…

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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) 4.15 5.88 -10.89 0 4 0 50 361.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-pyridylsulfonyl)-3,4-dihydro-2H-quinolin-3-amine (3S)-1-(3-pyridylsulfonyl)-3,4-d…

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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) 0.73 2.32 -56.96 3 5 1 78 290.368 2 ↓
Hi High (pH 8-9.5) 0.73 2 -10.07 2 5 0 76 289.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-pyridylsulfonyl)-3,4-dihydro-2H-quinolin-3-amine (3R)-1-(3-pyridylsulfonyl)-3,4-d…

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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) 0.73 2.31 -59.95 3 5 1 78 290.368 2 ↓
Hi High (pH 8-9.5) 0.73 2 -11.15 2 5 0 76 289.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-bromo-3-pyridyl)sulfonyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-bromo-3-pyridyl)sulfo…

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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) 1.69 2.92 -57.66 3 5 1 78 369.264 2 ↓
Hi High (pH 8-9.5) 1.69 2.61 -7.95 2 5 0 76 368.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-bromo-3-pyridyl)sulfonyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-bromo-3-pyridyl)sulfo…

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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) 1.69 2.91 -57.5 3 5 1 78 369.264 2 ↓
Hi High (pH 8-9.5) 1.69 2.59 -8.42 2 5 0 76 368.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-fluoro-3-pyridyl)sulf…

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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 2.38 -58.24 3 5 1 78 308.358 2 ↓
Hi High (pH 8-9.5) 1.04 2.06 -8.25 2 5 0 76 307.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-fluoro-3-pyridyl)sulfonyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-fluoro-3-pyridyl)sulf…

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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 2.39 -57.88 3 5 1 78 308.358 2 ↓
Hi High (pH 8-9.5) 1.04 2.06 -8.79 2 5 0 76 307.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine 5-[(8-methyl-3,4-dihydro-2H-quin…

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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) 2.61 4.25 -11.03 2 5 0 76 303.387 2 ↓

Analogs

44261987
44261987

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-1-(3-pyridylsulfonyl)-3,4-dihydro-2H-quinoline (4R)-4-methyl-1-(3-pyridylsulfon…

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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) 2.47 5.56 -10.97 0 4 0 50 288.372 2 ↓

Analogs

44261987
44261987

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-(3-pyridylsulfonyl)-3,4-dihydro-2H-quinoline (4S)-4-methyl-1-(3-pyridylsulfon…

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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) 2.47 5.56 -10.29 0 4 0 50 288.372 2 ↓

Parameters Provided:

ring.id = 5951
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 = 5951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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