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Popular Name: (1-methylpyrrol-2-yl)-thiomorpholino-methanone (1-methylpyrrol-2-yl)-thiomorpho…

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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) 0.98 5.7 -7.99 0 3 0 25 210.302 1 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(3R)-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) 0.66 3.07 -8.58 3 4 0 62 225.317 1 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(3S)-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) 0.66 3.16 -8.25 3 4 0 62 225.317 1 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (4-amino-1-methyl-pyrrol-2-yl)-[…

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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) 0.72 4.19 -6.67 2 4 0 51 239.344 1 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (4-amino-1-methyl-pyrrol-2-yl)-[…

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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) 0.72 4.14 -6.62 2 4 0 51 239.344 1 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2S,6R…

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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) 1.05 3.77 -8.75 3 4 0 62 239.344 1 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2S,6S…

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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) 1.05 4.18 -8.51 3 4 0 62 239.344 1 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2R,6R…

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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) 1.05 4.11 -8.32 3 4 0 62 239.344 1 ↓

Analogs

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Popular Name: 1-[2,4-dimethyl-5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone 1-[2,4-dimethyl-5-(thiomorpholin…

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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) 1.34 5.74 -9.45 1 4 0 53 266.366 2 ↓

Analogs

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Popular Name: (4-chloro-1H-pyrrol-2-yl)-thiomorpholino-methanone (4-chloro-1H-pyrrol-2-yl)-thiomo…

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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) 1.52 5.07 -9.25 1 3 0 36 230.72 1 ↓

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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) 1.27 5.91 -11.05 1 5 0 62 282.365 3 ↓

Analogs

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Popular Name: 1-[2-methyl-4-propyl-5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone 1-[2-methyl-4-propyl-5-(thiomorp…

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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) 2.20 7.29 -12.02 1 4 0 53 294.42 4 ↓

Analogs

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Popular Name: 1-[4-ethyl-2-methyl-5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone 1-[4-ethyl-2-methyl-5-(thiomorph…

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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) 1.81 6.49 -11.84 1 4 0 53 280.393 3 ↓

Parameters Provided:

ring.id = 423323
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 = 423323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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