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

Analogs

7580164
7580164
7899780
7899780

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Popular Name: N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]thiophene-2-carboxamide N-methyl-N-[2-(4-methylpiperazin…

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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) 0.52 5.98 -52.26 1 5 1 45 282.389 3 ↓
Mid Mid (pH 6-8) 0.52 3.63 -15.73 0 5 0 44 281.381 3 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-[2-(allylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxam N-[(1S)-1-[4-[2-(allylamino)-2-o…

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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) 1.63 3.35 -13.61 2 7 0 82 392.525 8 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-[2-(allylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxam N-[(1R)-1-[4-[2-(allylamino)-2-o…

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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) 1.63 3.43 -13.11 2 7 0 82 392.525 8 ↓

Analogs

25376472
25376472
25376477
25376477

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Popular Name: N-[(1S)-2-methyl-1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide N-[(1S)-2-methyl-1-[4-(2-methylp…

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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) 1.82 6.37 -12.42 1 6 0 70 365.499 5 ↓

Analogs

25376472
25376472
25376477
25376477

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide N-[(1R)-2-methyl-1-[4-(2-methylp…

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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) 1.82 6.41 -11.88 1 6 0 70 365.499 5 ↓

Analogs

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Popular Name: N-[(1R)-2-[4-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]thiophene-2-carboxa N-[(1R)-2-[4-[(1S)-2-methoxy-1-m…

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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) 0.92 2.82 -9.14 1 6 0 62 339.461 6 ↓
Lo Low (pH 4.5-6) 0.92 5 -41.93 2 6 1 63 340.469 6 ↓

Analogs

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Popular Name: N-[(1R)-2-[4-[(1R)-2-methoxy-1-methyl-ethyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]thiophene-2-carboxa N-[(1R)-2-[4-[(1R)-2-methoxy-1-m…

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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) 0.92 2.82 -9.23 1 6 0 62 339.461 6 ↓
Lo Low (pH 4.5-6) 0.92 5.01 -41.86 2 6 1 63 340.469 6 ↓

Analogs

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Popular Name: N-[(1S)-2-[4-[(1S)-2-methoxy-1-methyl-ethyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]thiophene-2-carboxa N-[(1S)-2-[4-[(1S)-2-methoxy-1-m…

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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) 0.92 2.82 -9.1 1 6 0 62 339.461 6 ↓
Lo Low (pH 4.5-6) 0.92 5.04 -41.74 2 6 1 63 340.469 6 ↓

Analogs

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Popular Name: N-[(1S)-2-[4-[(1R)-2-methoxy-1-methyl-ethyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]thiophene-2-carboxa N-[(1S)-2-[4-[(1R)-2-methoxy-1-m…

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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) 0.92 2.8 -9.24 1 6 0 62 339.461 6 ↓
Lo Low (pH 4.5-6) 0.92 5.02 -41.83 2 6 1 63 340.469 6 ↓

Analogs

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Popular Name: 3-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-yl-ethyl)thiophene-2-carboxamide 3-ethyl-N-methyl-N-(2-oxo-2-pipe…

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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 3.83 -14.67 1 5 0 53 295.408 4 ↓
Mid Mid (pH 6-8) 0.76 5.12 -53.49 2 5 1 57 296.416 4 ↓

Analogs

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Popular Name: 3-ethyl-N-(2-oxo-2-piperazin-1-yl-ethyl)thiophene-2-carboxamide 3-ethyl-N-(2-oxo-2-piperazin-1-y…

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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) 0.52 1.91 -8.51 2 5 0 61 281.381 4 ↓
Mid Mid (pH 6-8) 0.52 3.2 -50.19 3 5 1 66 282.389 4 ↓

Analogs

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Popular Name: (2S)-1-methyl-4-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]piperazine-2-carboxylic (2S)-1-methyl-4-[2-methyl-2-(thi…

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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) -1.14 6.44 -44.03 2 7 0 94 339.417 4 ↓
Hi High (pH 8-9.5) -1.14 4.23 -49.1 1 7 -1 93 338.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-methyl-4-[2-methyl-2-(thiophene-2-carbonylamino)propanoyl]piperazine-2-carboxylic (2R)-1-methyl-4-[2-methyl-2-(thi…

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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) -1.14 6.39 -33.16 2 7 0 94 339.417 4 ↓
Hi High (pH 8-9.5) -1.14 4.13 -49.56 1 7 -1 93 338.409 4 ↓

Parameters Provided:

ring.id = 27110
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 = 27110 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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