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

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Popular Name: (3S)-1-cycloheptyl-3-(3,3,3-trifluoropropylamino)pyrrolidine-2,5-dione (3S)-1-cycloheptyl-3-(3,3,3-trif…

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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) 2.50 5.38 -8.09 1 4 0 49 306.328 5 ↓
Mid Mid (pH 6-8) 2.50 6.65 -57.95 2 4 1 54 307.336 5 ↓

Analogs

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Popular Name: (3R)-1-cycloheptyl-3-(1,1-dimethylprop-2-ynylamino)pyrrolidine-2,5-dione (3R)-1-cycloheptyl-3-(1,1-dimeth…

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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) 2.27 5.72 -9.66 1 4 0 49 276.38 3 ↓
Lo Low (pH 4.5-6) 2.27 6.58 -40.43 2 4 1 54 277.388 3 ↓
Lo Low (pH 4.5-6) 2.27 6.58 -40.4 2 4 1 54 277.388 3 ↓

Analogs

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Popular Name: (3R)-1-cycloheptyl-3-[methyl-[2-(methylamino)ethyl]amino]pyrrolidine-2,5-dione (3R)-1-cycloheptyl-3-[methyl-[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 4.03 -42.94 2 5 1 57 282.408 5 ↓
Hi High (pH 8-9.5) 1.33 5.14 -43.94 2 5 1 54 282.408 5 ↓
Hi High (pH 8-9.5) 1.33 2.58 -6.19 1 5 0 53 281.4 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.49 5 -9.85 1 6 0 76 296.367 5 ↓
Mid Mid (pH 6-8) 1.49 6.09 -49.8 2 6 1 80 297.375 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.49 5.14 -11.18 1 6 0 76 296.367 5 ↓
Mid Mid (pH 6-8) 1.49 6.16 -47.01 2 6 1 80 297.375 5 ↓

Analogs

49881821
49881821
16696774
16696774
16696775
16696775

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Popular Name: 1-(2,5-dioxopyrrolidin-1-yl)cycloheptanecarboxylic 1-(2,5-dioxopyrrolidin-1-yl)cycl…

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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) -0.86 6.01 -57.53 0 5 -1 78 238.263 2 ↓

Parameters Provided:

ring.id = 206696
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 = 206696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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