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Analogs

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Popular Name: 7-[[(3-ethynylphenyl)amino]methyl]-3-methyl-thiazolo[2,3-b]pyrimidin-5-one 7-[[(3-ethynylphenyl)amino]methy…

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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) 2.24 7.94 -11.96 1 4 0 46 295.367 3 ↓

Analogs

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Popular Name: 7-[(N-[(2S)-2-hydroxybutyl]anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2S)-2-hydroxybutyl]anili…

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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) 2.98 8.4 -39.28 2 5 1 59 344.46 6 ↓
Hi High (pH 8-9.5) 2.98 7.96 -11.79 1 5 0 58 343.452 6 ↓

Analogs

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Popular Name: 7-[(N-[(2R)-2-hydroxybutyl]anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2R)-2-hydroxybutyl]anili…

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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) 2.98 8.27 -39.34 2 5 1 59 344.46 6 ↓
Hi High (pH 8-9.5) 2.98 7.84 -11.7 1 5 0 58 343.452 6 ↓

Analogs

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Popular Name: 7-[(2-fluoro-N-methyl-anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(2-fluoro-N-methyl-anilino)me…

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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) 2.86 9.49 -34.52 1 4 1 39 304.37 3 ↓
Hi High (pH 8-9.5) 2.86 9.04 -10.29 0 4 0 38 303.362 3 ↓

Analogs

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Popular Name: 7-[(N-[(2R)-2-hydroxypropyl]anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2R)-2-hydroxypropyl]anil…

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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) 2.48 7.46 -38.89 2 5 1 59 330.433 5 ↓
Hi High (pH 8-9.5) 2.48 7.02 -11.82 1 5 0 58 329.425 5 ↓

Analogs

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Popular Name: 7-[(N-[(2S)-2-hydroxypropyl]anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2S)-2-hydroxypropyl]anil…

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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) 2.48 7.58 -38.94 2 5 1 59 330.433 5 ↓
Hi High (pH 8-9.5) 2.48 7.14 -11.96 1 5 0 58 329.425 5 ↓

Analogs

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Popular Name: 7-[[2-chloro-5-(hydroxymethyl)anilino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[2-chloro-5-(hydroxymethyl)an…

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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) 2.23 4.46 -37.63 3 5 1 68 322.797 4 ↓
Mid Mid (pH 6-8) 2.23 4.06 -13.21 2 5 0 67 321.789 4 ↓

Analogs

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Popular Name: 7-[[2-chloro-5-(hydroxymethyl)anilino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[2-chloro-5-(hydroxymethyl)an…

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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) 2.45 5.05 -36.92 3 5 1 68 336.824 4 ↓
Hi High (pH 8-9.5) 2.45 4.66 -12.37 2 5 0 67 335.816 4 ↓

Analogs

43304495
43304495

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Popular Name: 7-[(3,5-dimethylanilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(3,5-dimethylanilino)methyl]t…

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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) 3.11 7.88 -36.66 2 4 1 48 286.38 3 ↓
Mid Mid (pH 6-8) 3.11 7.48 -10.9 1 4 0 46 285.372 3 ↓

Analogs

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Popular Name: 7-[(4-ethylanilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(4-ethylanilino)methyl]thiazo…

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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) 3.20 8 -36.43 2 4 1 48 286.38 4 ↓
Mid Mid (pH 6-8) 3.20 7.6 -10.51 1 4 0 46 285.372 4 ↓

Analogs

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Popular Name: 7-[(4-ethylanilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(4-ethylanilino)methyl]-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) 3.42 8.59 -35.14 2 4 1 48 300.407 4 ↓
Hi High (pH 8-9.5) 3.42 8.19 -9.56 1 4 0 46 299.399 4 ↓

Analogs

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Popular Name: 7-[(3,4-difluoro-N-methyl-anilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(3,4-difluoro-N-methyl-anilin…

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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) 2.78 8.43 -44.24 1 4 1 39 308.333 3 ↓
Mid Mid (pH 6-8) 2.78 7.99 -13.88 0 4 0 38 307.325 3 ↓

Analogs

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Popular Name: 7-[(N-methyl-4-methylsulfanyl-anilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(N-methyl-4-methylsulfanyl-an…

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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) 2.96 9.33 -39.53 1 4 1 39 318.447 4 ↓
Mid Mid (pH 6-8) 2.96 8.89 -13.04 0 4 0 38 317.439 4 ↓

Analogs

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Popular Name: 7-[(N-[(2S)-2-hydroxybutyl]anilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2S)-2-hydroxybutyl]anili…

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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) 2.76 7.8 -40.53 2 5 1 59 330.433 6 ↓
Mid Mid (pH 6-8) 2.76 7.36 -12.87 1 5 0 58 329.425 6 ↓

Analogs

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Popular Name: 7-[(N-[(2R)-2-hydroxybutyl]anilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(N-[(2R)-2-hydroxybutyl]anili…

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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) 2.76 7.68 -40.63 2 5 1 59 330.433 6 ↓
Mid Mid (pH 6-8) 2.76 7.24 -12.7 1 5 0 58 329.425 6 ↓

Analogs

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Popular Name: N,2-dimethyl-6-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide N,2-dimethyl-6-[(3-methyl-5-oxo-…

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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) 2.05 5.85 -41.66 3 6 1 77 343.432 4 ↓
Hi High (pH 8-9.5) 2.05 5.44 -16.27 2 6 0 76 342.424 4 ↓

Analogs

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Popular Name: 7-[(2,3-difluoroanilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(2,3-difluoroanilino)methyl]t…

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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) 2.51 6.29 -14.4 1 4 0 46 293.298 3 ↓

Analogs

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Popular Name: 7-[(2-chloro-4-iodo-anilino)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(2-chloro-4-iodo-anilino)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) 3.97 7.82 -11.06 1 4 0 46 417.659 3 ↓

Parameters Provided:

ring.id = 31920
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 = 31920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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