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

Analogs

48439130
48439130
48439132
48439132
4078361
4078361
20395677
20395677
20395675
20395675

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(cyclopropanecarbonylamino…

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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) 0.67 4.55 -51.35 1 6 -1 95 258.304 5 ↓

Analogs

20396128
20396128
20396130
20396130
20396126
20396126
4079411
4079411

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic 3-[[5-(cyclopropanecarbonylamino…

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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) 0.94 5.34 -56.8 1 6 -1 95 272.331 6 ↓

Analogs

20395859
20395859
20395861
20395861
20395862
20395862
20395857
20395857

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic (2S)-2-[[5-(cyclopropanecarbonyl…

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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) 1.03 5.31 -51.35 1 6 -1 95 272.331 5 ↓
Hi High (pH 8-9.5) 1.22 3.64 -96.65 0 6 -2 101 271.323 5 ↓

Analogs

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Popular Name: (1R)-2,2-dichloro-1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (1R)-2,2-dichloro-1-methyl-N-(5-…

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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) 2.44 6.41 -17.45 1 4 0 55 294.207 4 ↓
Hi High (pH 8-9.5) 2.63 5.37 -40.31 0 4 -1 61 293.199 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dichloro-1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (1S)-2,2-dichloro-1-methyl-N-(5-…

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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) 2.44 6.41 -17.44 1 4 0 55 294.207 4 ↓
Hi High (pH 8-9.5) 2.63 5.37 -40.36 0 4 -1 61 293.199 4 ↓

Analogs

6597840
6597840
6597846
6597846
6597901
6597901

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 2.05 5.59 -17.39 1 4 0 55 225.317 5 ↓

Analogs

23362409
23362409
23362412
23362412
23362416
23362416

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropane-1-carboxamide (1R,2S)-N-(5-butyl-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) 2.66 6.17 -14.7 1 4 0 55 239.344 5 ↓

Analogs

23362412
23362412
23362416
23362416
23362406
23362406

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropane-1-carboxamide (1S,2S)-N-(5-butyl-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) 2.66 6.13 -15.3 1 4 0 55 239.344 5 ↓

Analogs

23362416
23362416
23362406
23362406
23362409
23362409

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropane-1-carboxamide (1R,2R)-N-(5-butyl-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) 2.66 6.13 -15.34 1 4 0 55 239.344 5 ↓

Analogs

23362406
23362406
23362409
23362409
23362412
23362412

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropane-1-carboxamide (1S,2R)-N-(5-butyl-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) 2.66 6.17 -14.73 1 4 0 55 239.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(5-isobutyl-1,3,4-thia…

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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) 2.35 5.98 -14.67 1 4 0 55 239.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(5-isobutyl-1,3,4-thia…

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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) 2.35 5.93 -15.24 1 4 0 55 239.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(5-isobutyl-1,3,4-thia…

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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) 2.35 5.93 -15.21 1 4 0 55 239.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(5-isobutyl-1,3,4-thia…

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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) 2.35 5.98 -14.68 1 4 0 55 239.344 4 ↓

Parameters Provided:

ring.id = 75601
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 = 75601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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