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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(2-chlorobenzoyl)piperazin-…

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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) 0.62 4.54 -13.85 0 6 0 53 351.834 3 ↓
Lo Low (pH 4.5-6) 0.62 6.75 -47.51 1 6 1 54 352.842 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(4-chlorobenzoyl)piperazin-…

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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 4.53 -11.97 0 6 0 53 351.834 3 ↓
Lo Low (pH 4.5-6) 0.67 6.74 -46.63 1 6 1 54 352.842 3 ↓

Analogs

37980004
37980004
37987451
37987451

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(2-fluorobenzoyl)piperazin-…

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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) 0.11 4.12 -15.6 0 6 0 53 335.379 3 ↓
Lo Low (pH 4.5-6) 0.11 6.33 -49.4 1 6 1 54 336.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(2-hydroxybenzoyl)piperazin…

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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) 0.48 1.41 -18.27 1 7 0 73 333.388 3 ↓
Hi High (pH 8-9.5) 0.48 2.31 -55.56 0 7 -1 76 332.38 3 ↓
Lo Low (pH 4.5-6) 0.48 3.62 -54.19 2 7 1 75 334.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(2-chloro-4-fluoro-benzoyl)…

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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 4.61 -12.86 0 6 0 53 369.824 3 ↓
Lo Low (pH 4.5-6) 0.76 6.82 -47.62 1 6 1 54 370.832 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(3,5-difluorobenzoyl)pipera…

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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) 0.25 4.15 -11.54 0 6 0 53 353.369 3 ↓
Lo Low (pH 4.5-6) 0.25 6.36 -46.57 1 6 1 54 354.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-hydroxy-5-isopropyl-benzoyl)piperazin-1-yl]-2-morpholino-ethanone 1-[4-(2-hydroxy-5-isopropyl-benz…

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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) 1.97 3.31 -17.18 1 7 0 73 375.469 4 ↓
Hi High (pH 8-9.5) 1.97 4.1 -57.5 0 7 -1 76 374.461 4 ↓
Lo Low (pH 4.5-6) 1.97 5.51 -53.5 2 7 1 75 376.477 4 ↓

Parameters Provided:

ring.id = 29525
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 = 29525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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