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

69343050
69343050
12583581
12583581
12583589
12583589

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Popular Name: (2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2S)-N-(5-butyl-1,3,4-thiadiazol…

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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) 2.96 7.86 -31.06 1 7 0 92 408.549 7 ↓
Hi High (pH 8-9.5) 3.14 6.79 -61.6 0 7 -1 99 407.541 7 ↓

Analogs

39916591
39916591
39916592
39916592

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Popular Name: (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide (2R)-N-(5-ethyl-1,3,4-thiadiazol…

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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) 1.50 5.1 -29.83 1 8 0 101 396.494 6 ↓

Analogs

39916591
39916591
39916592
39916592

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide (2S)-N-(5-ethyl-1,3,4-thiadiazol…

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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) 1.50 4 -29.46 1 8 0 101 396.494 6 ↓

Analogs

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Popular Name: (2R)-1-(4-chlorophenyl)sulfonyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2R)-1-(4-chlorophenyl)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) 2.61 6.93 -27.73 1 7 0 92 414.94 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-chlorophenyl)sulfonyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(4-chlorophenyl)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) 2.61 5.83 -27.21 1 7 0 92 414.94 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)sulfonyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2R)-1-(4-fluorophenyl)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) 2.10 6.48 -27.94 1 7 0 92 398.485 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(4-fluorophenyl)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) 2.10 5.38 -27.53 1 7 0 92 398.485 5 ↓

Analogs

15922163
15922163
15922164
15922164
16572828
16572828
16572829
16572829
1341968
1341968

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Popular Name: (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide (2R)-N-(5-ethyl-1,3,4-thiadiazol…

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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) 1.90 6.48 -29.78 1 7 0 92 380.495 5 ↓

Analogs

15922163
15922163
15922164
15922164
16572828
16572828
16572829
16572829
1342084
1342084

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide (2S)-N-(5-ethyl-1,3,4-thiadiazol…

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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) 1.90 5.38 -29.17 1 7 0 92 380.495 5 ↓

Analogs

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Popular Name: (2R)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2R)-N-(5-isobutyl-1,3,4-thiadia…

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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) 2.64 7.63 -29.4 1 7 0 92 408.549 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide (2S)-N-(5-isobutyl-1,3,4-thiadia…

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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) 2.64 7.02 -29.11 1 7 0 92 408.549 6 ↓

Parameters Provided:

ring.id = 139534
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 = 139534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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