UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.38 10.24 -21.58 0 5 0 50 455.711 4 ↓

Analogs

27310943
27310943
32924280
32924280
32924282
32924282
40119349
40119349
14140409
14140409

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Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone 2-(2-bromo-4-fluoro-phenoxy)-1-[…

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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) 3.61 11.18 -20.73 0 5 0 50 449.32 5 ↓

Analogs

45259255
45259255
45259258
45259258
8753361
8753361
8753366
8753366
19759987
19759987

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Popular Name: (2R)-2-(3-chlorophenoxy)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]propan-1-one (2R)-2-(3-chlorophenoxy)-1-[4-(4…

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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) 3.73 11.26 -19.77 0 5 0 50 400.906 5 ↓

Analogs

45259255
45259255
45259258
45259258
8753361
8753361
8753366
8753366
19759987
19759987

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Popular Name: (2S)-2-(3-chlorophenoxy)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]propan-1-one (2S)-2-(3-chlorophenoxy)-1-[4-(4…

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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) 3.73 11.32 -13.48 0 5 0 50 400.906 5 ↓

Analogs

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Popular Name: 2-(4-bromophenoxy)-1-(4-o-anisoylpiperazino)ethanone 2-(4-bromophenoxy)-1-(4-o-anisoy…

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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) 3.17 9.15 -21.13 0 6 0 59 433.302 5 ↓

Analogs

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Popular Name: 1-(4-benzoylpiperazino)-2-(4-methylphenoxy)ethanone 1-(4-benzoylpiperazino)-2-(4-met…

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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) 2.25 0.52 -18.2 0 5 0 49 338.407 4 ↓

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenoxy)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one (2R)-2-(3,4-difluorophenoxy)-1-[…

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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) 1.94 6.57 -17.8 1 6 0 70 390.386 4 ↓

Parameters Provided:

ring.id = 41744
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 = 41744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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