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Analogs

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Popular Name: (2-fluoro-4-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-fluoro-4-pyridyl)-[(3R)-3-met…

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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) 0.84 5.01 -9.65 0 3 0 33 240.303 1 ↓

Analogs

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Popular Name: (2-fluoro-4-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-fluoro-4-pyridyl)-[(3S)-3-met…

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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) 0.84 4.95 -9.02 0 3 0 33 240.303 1 ↓

Analogs

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Popular Name: (2-chloro-4-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-chloro-4-pyridyl)-[(3R)-3-met…

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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) 1.35 5.49 -8.84 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (2-chloro-4-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-chloro-4-pyridyl)-[(3S)-3-met…

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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) 1.35 5.43 -8.27 0 3 0 33 256.758 1 ↓

Analogs

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Popular Name: (2-amino-4-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-amino-4-pyridyl)-[(3R)-3-meth…

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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 3.81 -8.22 2 4 0 59 237.328 1 ↓

Analogs

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Popular Name: (2-amino-4-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-amino-4-pyridyl)-[(3S)-3-meth…

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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 3.75 -7.99 2 4 0 59 237.328 1 ↓

Analogs

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Popular Name: (2-hydrazino-4-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-hydrazino-4-pyridyl)-[(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) -0.08 3.71 -8.92 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (2-hydrazino-4-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-hydrazino-4-pyridyl)-[(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) -0.08 3.65 -8.7 3 5 0 71 252.343 2 ↓

Analogs

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Popular Name: (2-chloro-6-hydrazino-4-pyridyl)-[(3R)-3-methylthiomorpholin-4-yl]methanone (2-chloro-6-hydrazino-4-pyridyl)…

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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) 0.94 4.14 -7.31 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: (2-chloro-6-hydrazino-4-pyridyl)-[(3S)-3-methylthiomorpholin-4-yl]methanone (2-chloro-6-hydrazino-4-pyridyl)…

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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) 0.94 4.08 -7.1 3 5 0 71 286.788 2 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-4-pyridyl)methanone [(2S,6R)-2,6-dimethylthiomorphol…

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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 4.42 -8.93 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-4-pyridyl)methanone [(2S,6S)-2,6-dimethylthiomorphol…

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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 4.74 -8.42 3 5 0 71 266.37 2 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-(2-hydrazino-4-pyridyl)methanone [(2R,6R)-2,6-dimethylthiomorphol…

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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 4.75 -8.58 3 5 0 71 266.37 2 ↓

Parameters Provided:

ring.id = 445464
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 = 445464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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