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Analogs

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Popular Name: 2-[[4-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[(1S)-1-hydroxyethyl]pheno…

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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) 2.07 3.42 -16.2 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.52 1.03 -53.76 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[(1R)-1-hydroxyethyl]pheno…

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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) 2.07 3.38 -16.17 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.52 1 -53.96 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[2-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-[(1S)-1-hydroxyethyl]pheno…

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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) 2.02 3.52 -15.39 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.47 1.14 -52.61 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-[(1R)-1-hydroxyethyl]pheno…

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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) 2.02 3.51 -15.4 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.47 1.13 -52.16 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[3-[(1S)-1-hydroxyethyl]pheno…

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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) 2.04 3.41 -15.68 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.50 1.03 -53.07 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[3-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[3-[(1R)-1-hydroxyethyl]pheno…

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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) 2.04 3.37 -15.7 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.50 1 -52.89 1 5 -1 78 301.347 4 ↓

Analogs

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Popular Name: 2-[[2-(aminomethyl)-6-bromo-phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(aminomethyl)-6-bromo-phen…

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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) 2.40 4.02 -56.53 4 5 1 83 367.248 4 ↓
Hi High (pH 8-9.5) 2.86 1.24 -56.07 2 5 -1 84 365.232 4 ↓
Mid Mid (pH 6-8) 2.86 1.67 -74.46 3 5 0 86 366.24 4 ↓

Analogs

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Popular Name: 3-bromo-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzaldehyde 3-bromo-2-[(4-oxo-3H-thieno[3,2-…

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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) 3.00 5.83 -14.87 1 5 0 72 365.208 4 ↓
Mid Mid (pH 6-8) 3.46 3.48 -51.54 0 5 -1 75 364.2 4 ↓

Analogs

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Popular Name: 2-[[2-bromo-6-(hydroxymethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-bromo-6-(hydroxymethyl)phe…

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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) 2.55 3.51 -13.76 2 5 0 75 367.224 4 ↓
Mid Mid (pH 6-8) 3.01 1.14 -53.23 1 5 -1 78 366.216 4 ↓

Analogs

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Popular Name: 4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzaldehyde 4-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 2.29 4.97 -17.76 1 5 0 72 286.312 4 ↓
Mid Mid (pH 6-8) 2.75 2.59 -54.04 0 5 -1 75 285.304 4 ↓

Analogs

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Popular Name: 4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzonitrile 4-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 2.26 5.63 -17.87 1 5 0 79 283.312 3 ↓
Mid Mid (pH 6-8) 2.71 3.26 -50.25 0 5 -1 82 282.304 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzaldehyde 5-bromo-2-[(4-oxo-3H-thieno[3,2-…

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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) 3.03 5.64 -18.85 1 5 0 72 365.208 4 ↓
Mid Mid (pH 6-8) 3.49 3.28 -48.99 0 5 -1 75 364.2 4 ↓

Analogs

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Popular Name: 2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzaldehyde 2-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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 5.04 -18.15 1 5 0 72 286.312 4 ↓
Mid Mid (pH 6-8) 2.70 2.66 -51.7 0 5 -1 75 285.304 4 ↓

Analogs

43477724
43477724

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Popular Name: 2-[(4-bromophenoxy)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-bromophenoxy)methyl]-3H-th…

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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) 3.31 5.85 -14.16 1 4 0 55 337.198 3 ↓
Mid Mid (pH 6-8) 3.77 3.47 -49.16 0 4 -1 58 336.19 3 ↓

Analogs

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Popular Name: 3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzaldehyde 3-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 2.27 4.95 -17.77 1 5 0 72 286.312 4 ↓
Mid Mid (pH 6-8) 2.72 2.58 -51.74 0 5 -1 75 285.304 4 ↓

Analogs

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Popular Name: 2-[(3-acetylphenoxy)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-acetylphenoxy)methyl]-3H-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) 2.38 5.71 -21.28 1 5 0 72 300.339 4 ↓
Mid Mid (pH 6-8) 2.83 3.34 -60.22 0 5 -1 75 299.331 4 ↓

Analogs

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Popular Name: 2-[(2-bromo-4-fluoro-phenoxy)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-bromo-4-fluoro-phenoxy)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) 3.40 5.96 -16.16 1 4 0 55 355.188 3 ↓
Mid Mid (pH 6-8) 3.86 3.59 -50.06 0 4 -1 58 354.18 3 ↓

Analogs

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Popular Name: 3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzonitrile 3-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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 5.61 -18.6 1 5 0 79 283.312 3 ↓
Mid Mid (pH 6-8) 2.69 3.24 -52.38 0 5 -1 82 282.304 3 ↓

Analogs

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Popular Name: 2-[(2-acetylphenoxy)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-acetylphenoxy)methyl]-3H-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) 2.35 6.96 -20.15 1 5 0 72 300.339 4 ↓
Mid Mid (pH 6-8) 2.81 4.54 -64.99 0 5 -1 75 299.331 4 ↓

Analogs

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Popular Name: 2-(2-bromophenoxymethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one 2-(2-bromophenoxymethyl)-3H,4H-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) 3.26 5.89 -15.47 1 4 0 55 337.198 3 ↓
Mid Mid (pH 6-8) 3.72 3.53 -53.18 0 4 -1 58 336.19 3 ↓

Analogs

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Popular Name: 2-[4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]phenyl]acetonitrile 2-[4-[(4-oxo-3H-thieno[3,2-d]pyr…

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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) 2.47 6.4 -19.98 1 5 0 79 297.339 4 ↓
Mid Mid (pH 6-8) 2.92 4.03 -58.36 0 5 -1 82 296.331 4 ↓

Analogs

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Popular Name: 2-[[4-(2-aminoethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-(2-aminoethyl)phenoxy]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) 1.49 4.04 -58.34 4 5 1 83 302.379 5 ↓
Mid Mid (pH 6-8) 1.94 1.68 -86.95 3 5 0 86 301.371 5 ↓

Analogs

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Popular Name: 2-[[2-(2-aminoethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(2-aminoethyl)phenoxy]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) 1.44 4.1 -54.41 4 5 1 83 302.379 5 ↓
Mid Mid (pH 6-8) 1.89 1.73 -63.46 3 5 0 86 301.371 5 ↓

Analogs

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Popular Name: 2-[[3-(2-aminoethyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[3-(2-aminoethyl)phenoxy]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) 1.46 4.04 -56.22 4 5 1 83 302.379 5 ↓
Mid Mid (pH 6-8) 1.92 1.67 -83.57 3 5 0 86 301.371 5 ↓

Analogs

43477724
43477724
5171400
5171400
4959120
4959120

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Popular Name: 2-(phenoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(phenoxymethyl)-3H-thieno[3,2-…

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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) 2.50 5.22 -13.93 1 4 0 55 258.302 3 ↓
Mid Mid (pH 6-8) 2.96 2.85 -52.19 0 4 -1 58 257.294 3 ↓

Parameters Provided:

ring.id = 18952
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 18952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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