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

Analogs

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Popular Name: 1-(4-phenylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone 1-(4-phenylpiperazin-1-yl)-2-[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) 3.74 9.97 -11.2 0 5 0 30 432.49 5 ↓
Lo Low (pH 4.5-6) 3.74 12.12 -50.26 1 5 1 31 433.498 5 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2-methoxyphenyl)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) 2.94 8.06 -12.32 0 7 0 48 424.545 6 ↓
Lo Low (pH 4.5-6) 2.94 10.21 -43.79 1 7 1 50 425.553 6 ↓

Analogs

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Popular Name: 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(4-hydroxyphenyl)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) 2.45 5.39 -13.16 1 7 0 59 410.518 5 ↓

Analogs

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Popular Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2-fluorophenyl)piperazin-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) 3.04 8.77 -11.84 0 6 0 39 412.509 5 ↓
Lo Low (pH 4.5-6) 3.04 10.91 -43.41 1 6 1 40 413.517 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(4-fluorophenyl)piperazin-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) 3.09 8.32 -12.25 0 6 0 39 412.509 5 ↓
Lo Low (pH 4.5-6) 3.09 10.47 -52.41 1 6 1 40 413.517 5 ↓

Analogs

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Popular Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2-chlorophenyl)piperazin-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) 3.56 9.38 -10.75 0 6 0 39 428.964 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2-hydroxyphenyl)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) 2.66 5.9 -11.83 1 7 0 59 410.518 5 ↓
Lo Low (pH 4.5-6) 2.66 8.06 -45.33 2 7 1 61 411.526 5 ↓

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(3-chlorophenyl)piperazin-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) 3.58 8.77 -12.2 0 6 0 39 428.964 5 ↓
Lo Low (pH 4.5-6) 3.58 10.92 -50.8 1 6 1 40 429.972 5 ↓

Analogs

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Popular Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2,3-dimethylphenyl)piperaz…

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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 10.13 -11.38 0 6 0 39 422.573 5 ↓
Mid Mid (pH 6-8) 3.73 10.16 -37.68 1 6 1 40 423.581 5 ↓

Analogs

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Popular Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(3-methoxyphenyl)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) 2.96 7.56 -13.88 0 7 0 48 424.545 6 ↓
Lo Low (pH 4.5-6) 2.96 9.7 -50.35 1 7 1 50 425.553 6 ↓

Analogs

38263512
38263512

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Popular Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 2-[4-(4-methoxyphenyl)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) 2.93 8.23 -11.21 0 6 0 39 394.519 5 ↓

Analogs

7115297
7115297

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Popular Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone 1-[4-(2-methoxyphenyl)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) 2.88 8.77 -10.67 0 6 0 39 394.519 5 ↓

Analogs

8212142
8212142

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Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 2-[4-(4-fluorophenyl)piperazin-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) 3.04 9.02 -10.63 0 5 0 30 382.483 4 ↓

Parameters Provided:

ring.id = 171535
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 = 171535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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