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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: 7-[[4-(difluoromethoxy)phenyl]methylsulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[4-(difluoromethoxy)phenyl]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) 3.73 9.34 -39.42 1 4 1 45 355.411 6 ↓
Mid Mid (pH 6-8) 3.73 8.93 -15.71 0 4 0 44 354.403 6 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylmethyl]benzamide N,N-dimethyl-3-[(5-oxothiazolo[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) 2.06 9.63 -42.95 1 5 1 56 360.484 5 ↓
Mid Mid (pH 6-8) 2.06 9.18 -20.63 0 5 0 55 359.476 5 ↓

Analogs

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Popular Name: 7-[[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[(1S)-1-(3-chloro-4-fluoro-ph…

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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) 4.25 10.81 -38.46 1 3 1 36 355.867 4 ↓
Mid Mid (pH 6-8) 4.25 10.41 -12.97 0 3 0 34 354.859 4 ↓

Analogs

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Popular Name: 7-[[(1S)-1-(2,4-difluorophenyl)ethyl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[(1S)-1-(2,4-difluorophenyl)e…

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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) 3.73 10.31 -36.36 1 3 1 36 339.412 4 ↓
Mid Mid (pH 6-8) 3.73 9.9 -11.31 0 3 0 34 338.404 4 ↓

Analogs

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Popular Name: 7-[[(1S)-1-(3-chlorophenyl)ethyl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[(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) 4.13 10.76 -35.67 1 3 1 36 337.877 4 ↓
Mid Mid (pH 6-8) 4.13 10.36 -11.94 0 3 0 34 336.869 4 ↓

Analogs

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Popular Name: 7-[[4-(difluoromethoxy)phenyl]methylsulfanylmethyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[4-(difluoromethoxy)phenyl]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) 3.95 9.93 -37.56 1 4 1 45 369.438 6 ↓
Mid Mid (pH 6-8) 3.95 9.53 -14.71 0 4 0 44 368.43 6 ↓

Analogs

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Popular Name: 7-[(2-methoxy-5-nitro-phenyl)methylsulfanylmethyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(2-methoxy-5-nitro-phenyl)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) 3.28 10.42 -40.53 1 7 1 91 378.455 6 ↓
Mid Mid (pH 6-8) 3.28 10.02 -16.35 0 7 0 89 377.447 6 ↓

Analogs

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Popular Name: 3-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylmethyl]benzonitrile 3-[(3-methyl-5-oxo-thiazolo[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) 3.07 10.74 -38.7 1 4 1 59 328.442 4 ↓
Mid Mid (pH 6-8) 3.07 10.33 -14.83 0 4 0 58 327.434 4 ↓

Analogs

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Popular Name: 3-methyl-7-[[(1S)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 3-methyl-7-[[(1S)-1-(3-nitrophen…

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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) 3.64 11.55 -40.15 1 6 1 81 362.456 5 ↓
Mid Mid (pH 6-8) 3.64 11.15 -14.79 0 6 0 80 361.448 5 ↓

Analogs

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Popular Name: 3-methyl-7-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 3-methyl-7-[[(1R)-1-(3-nitrophen…

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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) 3.64 11.55 -42.61 1 6 1 81 362.456 5 ↓
Mid Mid (pH 6-8) 3.64 11.15 -15.06 0 6 0 80 361.448 5 ↓

Analogs

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Popular Name: N-methyl-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylmethyl]benzamide N-methyl-4-[(5-oxothiazolo[3,2-a…

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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) 2.31 8.04 -45.13 2 5 1 65 346.457 5 ↓
Mid Mid (pH 6-8) 2.31 7.64 -19.45 1 5 0 63 345.449 5 ↓

Analogs

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Popular Name: N-methyl-4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylmethyl]benzamide N-methyl-4-[(3-methyl-5-oxo-thia…

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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) 2.53 8.63 -43.91 2 5 1 65 360.484 5 ↓
Mid Mid (pH 6-8) 2.53 8.23 -18.48 1 5 0 63 359.476 5 ↓

Analogs

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Popular Name: 7-[(5-bromo-2-fluoro-phenyl)methylsulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(5-bromo-2-fluoro-phenyl)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) 4.02 10.4 -34.96 1 3 1 36 386.291 4 ↓
Mid Mid (pH 6-8) 4.02 9.99 -12.67 0 3 0 34 385.283 4 ↓

Parameters Provided:

ring.id = 202002
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 = 202002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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