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

Analogs

35587821
35587821

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Popular Name: 2,5-difluoro-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 2,5-difluoro-N-[1-(p-tolylsulfon…

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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) 4.90 -5.04 -15.11 1 6 0 83 478.542 5 ↓
Hi High (pH 8-9.5) 4.90 -4.46 -53.12 0 6 -1 85 477.534 5 ↓

Analogs

15781334
15781334
38693630
38693630
9569484
9569484
9569497
9569497
9569499
9569499

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Popular Name: 4-fluoro-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 4-fluoro-N-[1-(p-tolylsulfonyl)-…

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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) 4.81 -5.75 -14.61 1 6 0 83 460.552 5 ↓
Hi High (pH 8-9.5) 4.81 -5.18 -49.65 0 6 -1 85 459.544 5 ↓

Analogs

9708661
9708661
15781324
15781324
35587815
35587815
36646847
36646847
38693246
38693246

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Popular Name: N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide N-[1-(p-tolylsulfonyl)-3,4-dihyd…

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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) 4.65 -6.49 -16.07 1 6 0 83 442.562 5 ↓
Hi High (pH 8-9.5) 4.65 -5.92 -56.5 0 6 -1 85 441.554 5 ↓

Analogs

15781324
15781324
35587815
35587815
36646847
36646847
38693246
38693246
9569472
9569472

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 4-methyl-N-[1-(p-tolylsulfonyl)-…

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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) 5.10 -6.17 -15.93 1 6 0 83 456.589 5 ↓
Hi High (pH 8-9.5) 5.10 -5.59 -57.01 0 6 -1 85 455.581 5 ↓

Analogs

36646916
36646916
36646918
36646918
36646925
36646925
36646926
36646926
36646928
36646928

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 4-methoxy-N-[1-(p-tolylsulfonyl)…

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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) 4.71 -6.47 -15.87 1 7 0 92 472.588 6 ↓
Hi High (pH 8-9.5) 4.71 -5.9 -54.68 0 7 -1 94 471.58 6 ↓

Analogs

9569495
9569495
9569516
9569516

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-methyl-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 4-fluoro-2-methyl-N-[1-(p-tolyls…

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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) 5.19 -5.23 -14.32 1 6 0 83 474.579 5 ↓
Hi High (pH 8-9.5) 5.19 -4.67 -47.09 0 6 -1 85 473.571 5 ↓

Analogs

9569496
9569496
9569517
9569517

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Popular Name: 4-fluoro-3-methyl-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 4-fluoro-3-methyl-N-[1-(p-tolyls…

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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) 5.19 -5.77 -18.06 1 6 0 83 474.579 5 ↓
Hi High (pH 8-9.5) 5.19 -5.19 -54.99 0 6 -1 85 473.571 5 ↓

Analogs

9569494
9569494

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 2,5-dimethyl-N-[1-(p-tolylsulfon…

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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) 5.47 -5.58 -15.15 1 6 0 83 470.616 5 ↓
Hi High (pH 8-9.5) 5.47 -5 -53.43 0 6 -1 85 469.608 5 ↓

Analogs

35587819
35587819

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Popular Name: 5-fluoro-2-methoxy-N-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-benzenesulfonamide 5-fluoro-2-methoxy-N-[1-(p-tolyl…

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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) 4.80 -5.45 -16.08 1 7 0 92 490.578 6 ↓
Hi High (pH 8-9.5) 4.80 -4.87 -54.97 0 7 -1 94 489.57 6 ↓

Parameters Provided:

ring.id = 8211
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 = 8211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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