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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[1-(4-fluorophenyl)ethyl]-2-sulfanylthieno[3,2-d]pyrimidin-4(3H)-one 3-[1-(4-fluorophenyl)ethyl]-2-su…

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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) 3.38 7.73 -41.59 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.92 8.99 -11.93 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[1-(4-fluorophenyl)ethyl]-2-sulfanylthieno[3,2-d]pyrimidin-4(3H)-one 3-[1-(4-fluorophenyl)ethyl]-2-su…

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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) 3.38 7.72 -38.68 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.92 8.84 -10.46 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(2-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(2-chlorophenyl)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) 3.84 7.77 -43.74 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.39 8.9 -12.51 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(2-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(2-chlorophenyl)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) 3.84 8.2 -42.37 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.39 9.34 -11.51 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(3-chlorophenyl)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) 3.87 8.18 -41.26 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.41 9.44 -11.43 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(3-chlorophenyl)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) 3.87 8.16 -39.44 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.41 9.3 -10.43 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(4-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(4-chlorophenyl)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) 3.89 8.17 -41.48 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.43 9.44 -11.55 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(4-chlorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(4-chlorophenyl)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) 3.89 8.16 -38.71 0 3 -1 41 321.834 2 ↓
Mid Mid (pH 6-8) 3.43 9.3 -10.02 1 3 0 38 322.842 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(4-bromophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(4-bromophenyl)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) 4.02 8.28 -41.49 0 3 -1 41 366.285 2 ↓
Mid Mid (pH 6-8) 3.57 9.56 -11.42 1 3 0 38 367.293 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(4-bromophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(4-bromophenyl)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) 4.02 8.28 -38.64 0 3 -1 41 366.285 2 ↓
Mid Mid (pH 6-8) 3.57 9.4 -9.96 1 3 0 38 367.293 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(o-tolyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(o-tolyl)ethyl]-2-sulf…

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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) 3.61 7.82 -45.13 0 3 -1 41 301.416 2 ↓
Mid Mid (pH 6-8) 3.16 9.01 -12.57 1 3 0 38 302.424 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(o-tolyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(o-tolyl)ethyl]-2-sulf…

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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) 3.61 7.87 -45.17 0 3 -1 41 301.416 2 ↓
Mid Mid (pH 6-8) 3.16 9.02 -12.52 1 3 0 38 302.424 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(2-fluorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(2-fluorophenyl)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) 3.33 7.44 -44.68 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.87 8.58 -13.11 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(2-fluorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(2-fluorophenyl)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) 3.33 7.82 -43.54 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.87 8.95 -12.31 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-fluorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(3-fluorophenyl)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) 3.35 7.74 -41.29 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.90 8.99 -11.85 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-fluorophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(3-fluorophenyl)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) 3.35 7.72 -39.82 0 3 -1 41 305.379 2 ↓
Mid Mid (pH 6-8) 2.90 8.84 -11.02 1 3 0 38 306.387 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(p-tolyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(p-tolyl)ethyl]-2-sulf…

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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) 3.66 8.2 -43.58 0 3 -1 41 301.416 2 ↓
Mid Mid (pH 6-8) 3.21 9.32 -11.77 1 3 0 38 302.424 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(p-tolyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(p-tolyl)ethyl]-2-sulf…

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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) 3.66 8.41 -42.77 0 3 -1 41 301.416 2 ↓
Mid Mid (pH 6-8) 3.21 9.54 -11.02 1 3 0 38 302.424 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-bromophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-1-(3-bromophenyl)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) 4.00 8.28 -41.22 0 3 -1 41 366.285 2 ↓
Mid Mid (pH 6-8) 3.54 9.55 -11.36 1 3 0 38 367.293 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-bromophenyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(3-bromophenyl)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) 4.00 8.27 -39.33 0 3 -1 41 366.285 2 ↓
Mid Mid (pH 6-8) 3.54 9.4 -10.31 1 3 0 38 367.293 2 ↓

Analogs

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Popular Name: 3-[(3,4-difluorophenyl)methyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(3,4-difluorophenyl)methyl]-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) 3.11 6.84 -37.55 0 3 -1 41 309.342 2 ↓
Mid Mid (pH 6-8) 2.65 8.16 -11.42 1 3 0 38 310.35 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 572455 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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