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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)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) -0.44 0.68 -16.98 1 6 0 84 288.369 4 ↓
Mid Mid (pH 6-8) -0.44 1.63 -66.36 2 6 1 88 289.377 4 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(3S)-1,1-dioxothian-3-y…

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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) -0.44 0.66 -22.08 1 6 0 84 288.369 4 ↓
Mid Mid (pH 6-8) -0.44 1.76 -70.32 2 6 1 88 289.377 4 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-methyl-pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) -1.32 -1.07 -17.39 1 6 0 84 260.315 2 ↓
Mid Mid (pH 6-8) -1.32 -0.11 -66.63 2 6 1 88 261.323 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]-1-methyl-pyrrolidine-2,5-dione (3S)-3-[[(3S)-1,1-dioxothian-3-y…

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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) -1.32 -1.09 -22.41 1 6 0 84 260.315 2 ↓
Mid Mid (pH 6-8) -1.32 0.02 -70.63 2 6 1 88 261.323 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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 1.54 -16.32 1 6 0 84 302.396 4 ↓
Mid Mid (pH 6-8) -0.11 2.5 -65.68 2 6 1 88 303.404 4 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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 1.54 -16.34 1 6 0 84 302.396 4 ↓
Mid Mid (pH 6-8) -0.11 2.5 -65.45 2 6 1 88 303.404 4 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) 0.42 2.62 -16.08 1 6 0 84 316.423 5 ↓
Mid Mid (pH 6-8) 0.42 3.58 -65.57 2 6 1 88 317.431 5 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(3S)-1,1-dioxothian-3-y…

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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) 0.42 2.6 -20.96 1 6 0 84 316.423 5 ↓
Mid Mid (pH 6-8) 0.42 3.7 -69.34 2 6 1 88 317.431 5 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) -0.65 0.47 -16.63 1 6 0 84 288.369 3 ↓
Mid Mid (pH 6-8) -0.65 1.44 -65.63 2 6 1 88 289.377 3 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[[(3S)-1,1-dioxothian-3-y…

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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) -0.65 0.46 -21.63 1 6 0 84 288.369 3 ↓
Mid Mid (pH 6-8) -0.65 1.56 -69.59 2 6 1 88 289.377 3 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) -0.94 -0.08 -17.1 1 6 0 84 274.342 3 ↓
Mid Mid (pH 6-8) -0.94 0.88 -66.16 2 6 1 88 275.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(3S)-1,1-dioxothian-3-y…

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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) -0.94 -0.1 -22.15 1 6 0 84 274.342 3 ↓
Mid Mid (pH 6-8) -0.94 1 -70.18 2 6 1 88 275.35 3 ↓

Parameters Provided:

ring.id = 289831
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 = 289831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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