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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: N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-1,3-benzodioxol-5-amine N-[(3R)-1,1-dioxothiolan-3-yl]-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) 2.68 2.37 -15.78 1 5 0 65 283.349 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-1,3-benzodioxol-5-amine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 2.68 2.37 -16.26 1 5 0 65 283.349 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1,3-benzodioxol-5-amine 6-chloro-N-[(3R)-1,1-dioxothiola…

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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) 2.48 1.34 -14.11 1 5 0 65 289.74 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-benzodioxol-5-amine 6-chloro-N-[(3S)-1,1-dioxothiola…

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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) 2.48 1.33 -14.27 1 5 0 65 289.74 2 ↓

Analogs

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Popular Name: (3R,4S)-4-(1,3-benzodioxol-5-ylamino)-1,1-dioxo-thiolan-3-ol (3R,4S)-4-(1,3-benzodioxol-5-yla…

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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) 0.96 -2.05 -16.49 2 6 0 85 271.294 2 ↓

Analogs

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Popular Name: (3R,4R)-4-(1,3-benzodioxol-5-ylamino)-1,1-dioxo-thiolan-3-ol (3R,4R)-4-(1,3-benzodioxol-5-yla…

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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) 0.96 -2.5 -16.42 2 6 0 85 271.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-(1,3-benzodioxol-5-ylamino)-1,1-dioxo-thiolan-3-ol (3S,4S)-4-(1,3-benzodioxol-5-yla…

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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) 0.96 -2.49 -17.91 2 6 0 85 271.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(1,3-benzodioxol-5-ylamino)-1,1-dioxo-thiolan-3-ol (3S,4R)-4-(1,3-benzodioxol-5-yla…

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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) 0.96 -2.21 -16.44 2 6 0 85 271.294 2 ↓

Analogs

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Popular Name: (3R,4S)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[(2,2-difluoro-1,3-ben…

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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) 1.58 -1.62 -16.48 2 6 0 85 307.274 2 ↓

Analogs

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Popular Name: (3R,4R)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1,1-dioxo-thiolan-3-ol (3R,4R)-4-[(2,2-difluoro-1,3-ben…

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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) 1.58 -2.07 -16.56 2 6 0 85 307.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1,1-dioxo-thiolan-3-ol (3S,4S)-4-[(2,2-difluoro-1,3-ben…

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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) 1.58 -2.06 -17.91 2 6 0 85 307.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1,1-dioxo-thiolan-3-ol (3S,4R)-4-[(2,2-difluoro-1,3-ben…

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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) 1.58 -1.77 -16.49 2 6 0 85 307.274 2 ↓

Parameters Provided:

ring.id = 320643
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 = 320643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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