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Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,1-dioxo-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 0.81 1.29 -12.29 2 4 0 73 272.395 1 ↓
Lo Low (pH 4.5-6) 0.81 1.55 -46.14 3 4 1 75 273.403 1 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,1-dioxo-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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) 0.81 1.29 -12.39 2 4 0 73 272.395 1 ↓
Lo Low (pH 4.5-6) 0.81 1.55 -46.17 3 4 1 75 273.403 1 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.18 2.25 -12.01 1 4 0 59 286.422 2 ↓
Mid Mid (pH 6-8) 1.18 2.87 -42.13 2 4 1 64 287.43 2 ↓

Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.18 2.32 -11.96 1 4 0 59 286.422 2 ↓
Mid Mid (pH 6-8) 1.18 2.86 -42.15 2 4 1 64 287.43 2 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.56 3.11 -11.7 1 4 0 59 300.449 3 ↓
Mid Mid (pH 6-8) 1.56 3.66 -39.72 2 4 1 64 301.457 3 ↓

Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-ethyl-1,1-dioxo-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.56 3.17 -11.71 1 4 0 59 300.449 3 ↓
Mid Mid (pH 6-8) 1.56 3.67 -39.67 2 4 1 64 301.457 3 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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 3.87 -11.56 1 4 0 59 314.476 4 ↓
Mid Mid (pH 6-8) 2.06 4.43 -39.64 2 4 1 64 315.484 4 ↓

Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,1-dioxo-N-propyl-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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 3.92 -11.67 1 4 0 59 314.476 4 ↓
Mid Mid (pH 6-8) 2.06 4.42 -39.68 2 4 1 64 315.484 4 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.86 3.32 -11.51 1 4 0 59 314.476 3 ↓
Mid Mid (pH 6-8) 1.86 4.42 -35.08 2 4 1 64 315.484 3 ↓

Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-1,1-dioxo-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.86 3.74 -11.6 1 4 0 59 314.476 3 ↓
Mid Mid (pH 6-8) 1.86 4.06 -38.02 2 4 1 64 315.484 3 ↓

Analogs

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Popular Name: (3R)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxo-thian-3-amine (3R)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.17 2.23 -13.09 1 5 0 68 330.475 5 ↓
Lo Low (pH 4.5-6) 1.17 2.81 -39.83 2 5 1 73 331.483 5 ↓

Analogs

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Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxo-thian-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.17 2.3 -11.6 1 5 0 68 330.475 5 ↓
Lo Low (pH 4.5-6) 1.17 2.8 -38.74 2 5 1 73 331.483 5 ↓

Parameters Provided:

ring.id = 288338
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 = 288338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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