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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: (4R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(3R)-1,1-dioxothiolan-3-…

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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) -0.31 0.73 -83.3 2 5 1 85 316.424 2 ↓
Mid Mid (pH 6-8) -0.31 0.08 -23.89 1 5 0 80 315.416 2 ↓

Analogs

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Popular Name: (4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) -0.31 0.08 -83.45 2 5 1 85 316.424 2 ↓
Mid Mid (pH 6-8) -0.31 -0.54 -23.25 1 5 0 80 315.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) -0.31 0.09 -82.56 2 5 1 85 316.424 2 ↓
Mid Mid (pH 6-8) -0.31 0.09 -26.32 1 5 0 80 315.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(3S)-1,1-dioxothiolan-3-…

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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) -0.31 0.75 -83.67 2 5 1 85 316.424 2 ↓
Mid Mid (pH 6-8) -0.31 -0.32 -25.19 1 5 0 80 315.416 2 ↓

Analogs

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Popular Name: (4R)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(3S)-3-methyl-1,1-dioxo-…

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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) 0.14 -0.06 -78.57 2 5 1 85 330.451 2 ↓
Mid Mid (pH 6-8) 0.14 -0.25 -23.68 1 5 0 80 329.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4R)-N-[(3R)-3-methyl-1,1-dioxo-…

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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) 0.14 0.14 -78.81 2 5 1 85 330.451 2 ↓
Mid Mid (pH 6-8) 0.14 -0.09 -22.88 1 5 0 80 329.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(3S)-3-methyl-1,1-dioxo-…

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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) 0.14 0.97 -76.49 2 5 1 85 330.451 2 ↓
Mid Mid (pH 6-8) 0.14 0.12 -24.15 1 5 0 80 329.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(3R)-3-methyl-1,1-dioxo-…

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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) 0.14 1.01 -75.77 2 5 1 85 330.451 2 ↓
Mid Mid (pH 6-8) 0.14 0.21 -24.57 1 5 0 80 329.443 2 ↓

Parameters Provided:

ring.id = 545185
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 = 545185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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