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Analogs

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Popular Name: 2-[(1R,5S)-3,3-dioxo-6-phenyl-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]-4-methyl-thiazole-5-carboxylic 2-[(1R,5S)-3,3-dioxo-6-phenyl-3$…

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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) 2.37 5.27 -60.12 0 5 -1 87 348.425 3 ↓

Analogs

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Popular Name: 2-[2-[(1R,5S)-3,3-dioxo-6-phenyl-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazol-4-yl]acetic 2-[2-[(1R,5S)-3,3-dioxo-6-phenyl…

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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) 2.01 5.91 -62.8 0 5 -1 87 348.425 4 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3,3-dioxo-6-phenyl-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazole-4-carboxylic 2-[(1R,5S)-3,3-dioxo-6-phenyl-3$…

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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) 2.15 5.62 -66.24 0 5 -1 87 334.398 3 ↓

Analogs

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Popular Name: (1R,5S)-3,3-dioxo-6-phenyl-3$l^{6}-thiabicyclo[3.1.0]hexan-6-amine (1R,5S)-3,3-dioxo-6-phenyl-3$l^{…

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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) 1.48 1.2 -62.87 3 3 1 62 224.305 1 ↓

Analogs

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Popular Name: 2-[(1R,5S)-6-(4-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]-4-methyl-thiazole-5-c 2-[(1R,5S)-6-(4-methoxyphenyl)-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) 2.43 4.37 -55.11 0 6 -1 96 378.451 4 ↓

Analogs

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Popular Name: 2-[2-[(1R,5S)-6-(4-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazol-4-yl]acetic 2-[2-[(1R,5S)-6-(4-methoxyphenyl…

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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) 2.06 4.64 -58.24 0 6 -1 96 378.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,5S)-6-(4-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazole-4-carboxylic 2-[(1R,5S)-6-(4-methoxyphenyl)-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) 2.21 3.75 -66 0 6 -1 96 364.424 4 ↓

Analogs

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Popular Name: (1R,5S)-6-(4-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-amine (1R,5S)-6-(4-methoxyphenyl)-3,3-…

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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) 1.54 0.5 -66.44 3 4 1 71 254.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,5S)-6-(2-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]-4-methyl-thiazole-5-c 2-[(1R,5S)-6-(2-methoxyphenyl)-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) 2.38 4.88 -59.35 0 6 -1 96 378.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R,5S)-6-(2-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazol-4-yl]acetic 2-[2-[(1R,5S)-6-(2-methoxyphenyl…

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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) 2.01 4.78 -61.03 0 6 -1 96 378.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,5S)-6-(2-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-yl]thiazole-4-carboxylic 2-[(1R,5S)-6-(2-methoxyphenyl)-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) 2.16 3.76 -63.2 0 6 -1 96 364.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-6-(2-methoxyphenyl)-3,3-dioxo-3$l^{6}-thiabicyclo[3.1.0]hexan-6-amine (1R,5S)-6-(2-methoxyphenyl)-3,3-…

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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) 1.49 1.29 -53.01 3 4 1 71 254.331 2 ↓

Parameters Provided:

ring.id = 56398
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 = 56398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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