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Popular Name: 1-propyl-4-thiomorpholinosulfonyl-pyrrole-2-carboxylic 1-propyl-4-thiomorpholinosulfony…

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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) 1.24 5.82 -52.85 0 6 -1 82 317.412 5 ↓

Analogs

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Popular Name: 1-ethyl-4-thiomorpholinosulfonyl-pyrrole-2-carboxylic 1-ethyl-4-thiomorpholinosulfonyl…

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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) 0.74 5.07 -52.54 0 6 -1 82 303.385 4 ↓

Analogs

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Popular Name: 1-isopropyl-4-thiomorpholinosulfonyl-pyrrole-2-carboxylic 1-isopropyl-4-thiomorpholinosulf…

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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) 1.10 5.62 -52.78 0 6 -1 82 317.412 4 ↓

Analogs

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Popular Name: N-tert-butyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-tert-butyl-4-thiomorpholinosul…

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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) 1.10 2.44 -16.07 2 6 0 82 331.463 4 ↓

Analogs

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Popular Name: N-[(1R)-1,5-dimethylhexyl]-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-[(1R)-1,5-dimethylhexyl]-4-thi…

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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) 2.67 5.76 -16.48 2 6 0 82 387.571 8 ↓

Analogs

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Popular Name: N-[(1S)-1,5-dimethylhexyl]-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-[(1S)-1,5-dimethylhexyl]-4-thi…

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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) 2.67 5.75 -16.45 2 6 0 82 387.571 8 ↓

Analogs

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Popular Name: N-ethyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-ethyl-4-thiomorpholinosulfonyl…

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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) 0.29 1.15 -16.72 2 6 0 82 303.409 4 ↓

Analogs

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Popular Name: N-propyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-propyl-4-thiomorpholinosulfony…

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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) 0.79 1.91 -16.61 2 6 0 82 317.436 5 ↓

Analogs

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Popular Name: 4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide 4-thiomorpholinosulfonyl-1H-pyrr…

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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) -0.46 -1.19 -17.27 3 6 0 96 275.355 3 ↓

Analogs

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Popular Name: N-prop-2-ynyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-prop-2-ynyl-4-thiomorpholinosu…

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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) 0.07 1.64 -16.14 2 6 0 82 313.404 4 ↓

Analogs

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Popular Name: N-allyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-allyl-4-thiomorpholinosulfonyl…

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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) 0.56 1.69 -16.28 2 6 0 82 315.42 5 ↓

Analogs

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Popular Name: N-ethoxy-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-ethoxy-4-thiomorpholinosulfony…

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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) 0.25 2.24 -19.73 2 7 0 92 319.408 5 ↓

Analogs

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Popular Name: N,N-dimethyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N,N-dimethyl-4-thiomorpholinosul…

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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) 0.16 2.5 -17.81 1 6 0 73 303.409 3 ↓

Analogs

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Popular Name: N-methoxy-N-methyl-4-thiomorpholinosulfonyl-1H-pyrrole-2-carboxamide N-methoxy-N-methyl-4-thiomorphol…

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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) 0.12 2.59 -14.51 1 7 0 83 319.408 4 ↓

Analogs

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Popular Name: prop-2-ynyl prop-2-ynyl

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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) 0.71 4.09 -13.83 1 6 0 79 314.388 5 ↓

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Popular Name: propyl propyl

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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) 1.43 4.36 -13.11 1 6 0 79 318.42 6 ↓

Analogs

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Popular Name: allyl allyl

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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) 1.20 4.13 -13.12 1 6 0 79 316.404 6 ↓

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Popular Name: methyl methyl

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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) 0.55 2.62 -13.58 1 6 0 79 290.366 4 ↓

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Popular Name: ethyl ethyl

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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) 0.93 3.55 -13.29 1 6 0 79 304.393 5 ↓

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Popular Name: isopropyl isopropyl

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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) 1.29 4.28 -13.36 1 6 0 79 318.42 5 ↓

Parameters Provided:

ring.id = 15930
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 = 15930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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