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

Analogs

44503890
44503890
44516136
44516136
44516289
44516289

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyl-4-piperidyl)methyl]thiophene-2-sulfonamide N-[(1-methyl-4-piperidyl)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) 1.76 3.82 -43.63 2 4 1 51 275.419 4 ↓
Hi High (pH 8-9.5) 1.76 3.4 -52.56 1 4 0 53 274.411 4 ↓

Analogs

41681818
41681818
41681866
41681866
44509079
44509079

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(1-methyl-4-piperidyl)methyl]thiophene-2-sulfonamide 5-ethyl-N-[(1-methyl-4-piperidyl…

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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) 2.55 5.43 -43.37 2 4 1 51 303.473 5 ↓
Hi High (pH 8-9.5) 2.55 5.01 -53.25 1 4 0 53 302.465 5 ↓

Analogs

44509122
44509122

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1-methyl-4-piperidyl)methyl]thiophene-2-sulfonamide 5-chloro-N-[(1-methyl-4-piperidy…

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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 4.45 -42.88 2 4 1 51 309.864 4 ↓
Hi High (pH 8-9.5) 2.56 4.03 -48.18 1 4 0 53 308.856 4 ↓

Analogs

41681812
41681812
44509048
44509048

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1-methyl-4-piperidyl)methyl]thiophene-2-sulfonamide 5-methyl-N-[(1-methyl-4-piperidy…

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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) 1.98 4.65 -43.61 2 4 1 51 289.446 4 ↓
Hi High (pH 8-9.5) 1.98 4.23 -53.54 1 4 0 53 288.438 4 ↓

Analogs

36880832
36880832
36880872
36880872
44509122
44509122

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(1-isopropyl-4-piperidyl)methyl]thiophene-2-sulfonamide 5-chloro-N-[(1-isopropyl-4-piper…

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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) 3.23 5.43 -41.38 2 4 1 51 337.918 5 ↓
Hi High (pH 8-9.5) 3.23 5.01 -45.46 1 4 0 53 336.91 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[1-(2-methoxyethyl)-…

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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) 2.54 4.32 -42.77 2 5 1 60 353.917 7 ↓
Hi High (pH 8-9.5) 2.54 3.9 -47.59 1 5 0 62 352.909 7 ↓

Analogs

41684985
41684985
41684998
41684998
36880831
36880831
36880871
36880871

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1-isopropyl-4-piperidyl)methyl]thiophene-2-sulfonamide 5-bromo-N-[(1-isopropyl-4-piperi…

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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) 3.36 5.6 -39.42 2 4 1 51 382.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]thiophene-2-sulfonamide 5-bromo-N-[[1-(2-methoxyethyl)-4…

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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 4.25 -41.11 2 5 1 60 398.368 7 ↓

Parameters Provided:

ring.id = 129711
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 = 129711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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