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

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[4-(2,2-difluoroethyl)…

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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) 1.11 2.44 -19.3 0 6 0 61 381.489 8 ↓
Lo Low (pH 4.5-6) 1.11 4.58 -49.29 1 6 1 62 382.497 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[4-(2,2-difluoroethyl)…

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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) 1.11 2.48 -20.18 0 6 0 61 381.489 8 ↓
Lo Low (pH 4.5-6) 1.11 4.59 -51.19 1 6 1 62 382.497 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-isobutyl-acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 0.80 2.22 -17.77 0 6 0 61 381.489 7 ↓
Lo Low (pH 4.5-6) 0.80 4.45 -48.32 1 6 1 62 382.497 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-isobutyl-acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 0.80 2.26 -20.59 0 6 0 61 381.489 7 ↓
Lo Low (pH 4.5-6) 0.80 4.34 -46.36 1 6 1 62 382.497 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-isopentylpiperazin-1-yl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-2…

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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) 1.01 2.34 -48.76 2 6 1 71 332.49 6 ↓
Hi High (pH 8-9.5) 1.01 0.05 -16.35 1 6 0 70 331.482 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-isopentylpiperazin-1-yl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-2…

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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) 1.01 2.35 -48.01 2 6 1 71 332.49 6 ↓
Hi High (pH 8-9.5) 1.01 0.06 -15.6 1 6 0 70 331.482 6 ↓

Analogs

48574276
48574276
48574279
48574279
19976639
19976639
19976642
19976642
19976656
19976656

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-piperazin-1-yl-N-prop-2-ynyl-acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-2…

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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) -1.33 0.43 -54.23 2 6 1 74 300.404 4 ↓
Hi High (pH 8-9.5) -1.33 -0.92 -17.97 1 6 0 70 299.396 4 ↓

Analogs

48574276
48574276
48574279
48574279
19976639
19976639
19976642
19976642
19976656
19976656

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-piperazin-1-yl-N-prop-2-ynyl-acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-2…

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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) -1.33 0.44 -51.83 2 6 1 74 300.404 4 ↓
Hi High (pH 8-9.5) -1.33 -0.92 -15.71 1 6 0 70 299.396 4 ↓

Parameters Provided:

ring.id = 173776
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 = 173776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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