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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (6-amino-3,4-dihydro-2H-quinolin…

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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) 1.47 3.17 -7.08 2 5 0 72 260.322 1 ↓

Analogs

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Popular Name: [(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(3S)-3-amino-3,4-dihydro-2H-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) 0.76 2.53 -54.7 3 5 1 74 261.33 1 ↓
Hi High (pH 8-9.5) 0.76 2.21 -5.89 2 5 0 72 260.322 1 ↓

Analogs

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Popular Name: [(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(3R)-3-amino-3,4-dihydro-2H-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) 0.76 2.39 -54.59 3 5 1 74 261.33 1 ↓
Hi High (pH 8-9.5) 0.76 2.07 -5.94 2 5 0 72 260.322 1 ↓

Analogs

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Popular Name: (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (8-methoxy-3,4-dihydro-2H-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) 2.42 6.06 -7.56 0 5 0 55 275.333 2 ↓

Analogs

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Popular Name: (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (6-chloro-3,4-dihydro-2H-quinoli…

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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 5.82 -5.53 0 4 0 46 279.752 1 ↓

Analogs

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Popular Name: (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (5,7-difluoro-3,4-dihydro-2H-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) 2.65 5.4 -5.36 0 4 0 46 281.287 1 ↓

Analogs

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Popular Name: [(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(4R)-4-methyl-3,4-dihydro-2H-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) 2.49 5.63 -5.97 0 4 0 46 259.334 1 ↓

Analogs

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Popular Name: [(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(4S)-4-methyl-3,4-dihydro-2H-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) 2.49 5.76 -6.09 0 4 0 46 259.334 1 ↓

Analogs

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Popular Name: (6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (6-isopropyl-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) 3.90 7.22 -5.97 0 4 0 46 287.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (6,7-difluoro-3,4-dihydro-2H-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) 2.65 5.43 -8.23 0 4 0 46 281.287 1 ↓

Analogs

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Popular Name: (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (6-fluoro-3,4-dihydro-2H-quinoli…

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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) 2.56 5.38 -5.96 0 4 0 46 263.297 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (7-fluoro-3,4-dihydro-2H-quinoli…

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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) 2.56 5.37 -8.07 0 4 0 46 263.297 1 ↓

Parameters Provided:

ring.id = 527500
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 = 527500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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