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

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Popular Name: 4-[(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoic 4-[(3R)-3-[4-(2-hydroxyethyl)pip…

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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) -0.46 1.38 -55.83 1 8 -1 104 346.363 5 ↓
Ref Reference (pH 7) -0.46 1.41 -56.78 1 8 -1 104 346.363 5 ↓
Mid Mid (pH 6-8) -0.46 3.71 -82.24 2 8 0 105 347.371 5 ↓

Analogs

25809907
25809907
32500261
32500261
36633899
36633899
36634073
36634073
18143950
18143950

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Popular Name: 2-[4-[(3R)-1-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-1-yl]acetamide 2-[4-[(3R)-1-(3-methoxyphenyl)-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) -0.98 -0.29 -19.79 2 8 0 96 346.387 5 ↓
Ref Reference (pH 7) -0.98 -0.31 -19.59 2 8 0 96 346.387 5 ↓
Mid Mid (pH 6-8) -0.98 1.92 -55.05 3 8 1 97 347.395 5 ↓

Analogs

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Popular Name: (3R)-3-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione (3R)-3-(4-acetylpiperazin-1-yl)-…

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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) 0.43 5.38 -14.16 0 6 0 61 380.242 2 ↓

Analogs

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Popular Name: (3S)-3-(4-acetylpiperazin-1-yl)-1-(p-tolyl)pyrrolidine-2,5-dione (3S)-3-(4-acetylpiperazin-1-yl)-…

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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) 0.07 5.44 -15.14 0 6 0 61 315.373 2 ↓

Analogs

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Popular Name: (3R)-3-(4-acetylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione (3R)-3-(4-acetylpiperazin-1-yl)-…

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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) 0.88 6.07 -15.9 0 6 0 61 370.236 2 ↓

Analogs

19881611
19881611

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Popular Name: (3R)-3-(4-acetylpiperazin-1-yl)-1-(4-dimethylaminophenyl)pyrrolidine-2,5-dione (3R)-3-(4-acetylpiperazin-1-yl)-…

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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) -0.28 5.19 -15.78 0 7 0 64 344.415 3 ↓

Parameters Provided:

ring.id = 127431
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 = 127431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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