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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetohydrazide 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) -0.75 3.33 -16.78 4 6 0 93 284.366 3 ↓
Mid Mid (pH 6-8) -0.29 2.03 -45.98 3 6 -1 96 283.358 3 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 0.32 3.21 -15.66 3 5 0 81 269.351 3 ↓
Mid Mid (pH 6-8) 0.78 1.91 -44.75 2 5 -1 84 268.343 3 ↓

Analogs

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Popular Name: methyl methyl

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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 7.17 -13 1 5 0 64 284.362 4 ↓
Mid Mid (pH 6-8) 1.91 5.88 -41.05 0 5 -1 67 283.354 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.82 8.09 -13.02 1 5 0 64 298.389 4 ↓
Mid Mid (pH 6-8) 2.27 6.98 -41.14 0 5 -1 67 297.381 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.82 8.09 -13.15 1 5 0 64 298.389 4 ↓
Mid Mid (pH 6-8) 2.27 6.98 -41.29 0 5 -1 67 297.381 4 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetic 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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 7.1 -57.31 1 5 -1 78 269.327 3 ↓
Hi High (pH 8-9.5) 1.30 5.81 -114.26 0 5 -2 81 268.319 3 ↓

Analogs

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Popular Name: (2S)-2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)propanoic (2S)-2-(6-ethyl-4-oxo-2-thioxo-1…

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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) 1.20 8.04 -57.65 1 5 -1 78 283.354 3 ↓
Hi High (pH 8-9.5) 1.66 6.94 -113.61 0 5 -2 81 282.346 3 ↓

Analogs

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Popular Name: (2R)-2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)propanoic (2R)-2-(6-ethyl-4-oxo-2-thioxo-1…

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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) 1.20 8.03 -57.99 1 5 -1 78 283.354 3 ↓
Hi High (pH 8-9.5) 1.66 6.87 -113.87 0 5 -2 81 282.346 3 ↓

Analogs

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Popular Name: (2S)-2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)butanoic (2S)-2-(6-ethyl-4-oxo-2-thioxo-1…

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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) 1.70 9.04 -58.59 1 5 -1 78 297.381 4 ↓
Hi High (pH 8-9.5) 2.16 7.99 -115.01 0 5 -2 81 296.373 4 ↓

Analogs

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Popular Name: (2R)-2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)butanoic (2R)-2-(6-ethyl-4-oxo-2-thioxo-1…

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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) 1.70 9.07 -58.63 1 5 -1 78 297.381 4 ↓
Hi High (pH 8-9.5) 2.16 8.01 -115.04 0 5 -2 81 296.373 4 ↓

Analogs

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Popular Name: ethyl 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) 1.83 8.1 -12.87 1 5 0 64 298.389 5 ↓
Mid Mid (pH 6-8) 2.29 6.81 -41.27 0 5 -1 67 297.381 5 ↓

Analogs

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Popular Name: 3-butyl-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-butyl-6-ethyl-2-thioxo-1H-thie…

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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 8.38 -8.9 1 3 0 38 268.407 4 ↓
Mid Mid (pH 6-8) 3.49 7.11 -37.07 0 3 -1 41 267.399 4 ↓

Analogs

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Popular Name: 6-ethyl-3-pentyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-pentyl-2-thioxo-1H-thi…

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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) 3.54 9.17 -8.81 1 3 0 38 282.434 5 ↓
Hi High (pH 8-9.5) 3.99 7.89 -37.03 0 3 -1 41 281.426 5 ↓

Analogs

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Popular Name: 6-ethyl-3-hexyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-hexyl-2-thioxo-1H-thie…

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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) 4.04 9.95 -8.81 1 3 0 38 296.461 6 ↓
Hi High (pH 8-9.5) 4.50 8.67 -37.04 0 3 -1 41 295.453 6 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetonitrile 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 1.38 6.6 -12.06 1 4 0 62 251.336 2 ↓
Mid Mid (pH 6-8) 1.84 5.33 -34.74 0 4 -1 65 250.328 2 ↓

Analogs

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Popular Name: 6-ethyl-3-(methoxymethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(methoxymethyl)-2-thio…

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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) 1.56 4.71 -9.93 1 4 0 47 256.352 3 ↓
Hi High (pH 8-9.5) 2.02 3.42 -37.15 0 4 -1 50 255.344 3 ↓

Analogs

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Popular Name: 3-acetonyl-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-acetonyl-6-ethyl-2-thioxo-1H-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) 1.14 7.04 -13.92 1 4 0 55 268.363 3 ↓
Hi High (pH 8-9.5) 1.60 5.73 -43.37 0 4 -1 58 267.355 3 ↓

Analogs

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Popular Name: 3-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)propanoic 3-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 1.11 7.51 -55.3 1 5 -1 78 283.354 4 ↓
Hi High (pH 8-9.5) 1.57 6.23 -104.35 0 5 -2 81 282.346 4 ↓

Analogs

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Popular Name: 6-ethyl-3-[(1S)-1-methyl-2-oxo-propyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[(1S)-1-methyl-2-oxo-p…

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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) 1.50 8.46 -13.92 1 4 0 55 282.39 3 ↓
Hi High (pH 8-9.5) 1.96 7.38 -43.34 0 4 -1 58 281.382 3 ↓

Analogs

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Popular Name: 6-ethyl-3-[(1R)-1-methyl-2-oxo-propyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[(1R)-1-methyl-2-oxo-p…

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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) 1.50 8.5 -13.87 1 4 0 55 282.39 3 ↓
Hi High (pH 8-9.5) 1.96 7.45 -43.03 0 4 -1 58 281.382 3 ↓

Analogs

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Popular Name: 6-ethyl-3-(2-hydroxyethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(2-hydroxyethyl)-2-thi…

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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) 0.96 4.16 -11.47 2 4 0 58 256.352 3 ↓
Hi High (pH 8-9.5) 1.42 2.86 -39.56 1 4 -1 61 255.344 3 ↓

Analogs

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Popular Name: 3-[(2S)-2,3-dihydroxypropyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[(2S)-2,3-dihydroxypropyl]-6-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) 0.32 1.48 -12.15 3 5 0 78 286.378 4 ↓
Hi High (pH 8-9.5) 0.77 0.2 -39.75 2 5 -1 81 285.37 4 ↓

Analogs

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Popular Name: 3-[(2R)-2,3-dihydroxypropyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[(2R)-2,3-dihydroxypropyl]-6-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) 0.32 1.96 -12.55 3 5 0 78 286.378 4 ↓
Hi High (pH 8-9.5) 0.77 0.7 -40.19 2 5 -1 81 285.37 4 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-N-methyl-acetamide 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 0.70 4.68 -15.94 2 5 0 67 283.378 3 ↓
Mid Mid (pH 6-8) 1.16 3.4 -45.82 1 5 -1 70 282.37 3 ↓

Analogs

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Popular Name: 6-ethyl-3-(3-hydroxypropyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(3-hydroxypropyl)-2-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) 1.23 4.27 -11.44 2 4 0 58 270.379 4 ↓
Hi High (pH 8-9.5) 1.69 3 -39.38 1 4 -1 61 269.371 4 ↓

Analogs

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Popular Name: 3-(2-dimethylaminoethyl)-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-(2-dimethylaminoethyl)-6-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) 1.62 8.15 -34.3 2 4 1 42 284.43 4 ↓
Mid Mid (pH 6-8) 2.08 6.88 -35.11 1 4 0 45 283.422 4 ↓

Analogs

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Popular Name: 3-[3-(dimethylamino)propyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[3-(dimethylamino)propyl]-6-et…

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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) 1.89 8.92 -35.99 2 4 1 42 298.457 5 ↓
Hi High (pH 8-9.5) 2.35 7.64 -41.79 1 4 0 45 297.449 5 ↓

Analogs

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Popular Name: 2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-2-methyl-propanoic 2-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 1.65 7.34 -55.39 1 5 -1 78 297.381 3 ↓
Hi High (pH 8-9.5) 2.10 6.27 -113.55 0 5 -2 81 296.373 3 ↓

Analogs

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Popular Name: 4-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)butanoic 4-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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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) 1.38 8.32 -55.95 1 5 -1 78 297.381 5 ↓
Hi High (pH 8-9.5) 1.84 7.04 -102.6 0 5 -2 81 296.373 5 ↓
Lo Low (pH 4.5-6) 1.38 6.34 -13.99 2 5 0 75 298.389 5 ↓

Analogs

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Popular Name: 6-ethyl-3-prop-2-ynyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-prop-2-ynyl-2-thioxo-1…

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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) 1.75 7.37 -10.87 1 3 0 38 250.348 2 ↓
Mid Mid (pH 6-8) 2.21 6.09 -38.83 0 3 -1 41 249.34 2 ↓

Analogs

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Popular Name: 6-ethyl-3-(3-oxobutyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(3-oxobutyl)-2-thioxo-…

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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) 1.41 7.49 -12.32 1 4 0 55 282.39 4 ↓
Hi High (pH 8-9.5) 1.87 6.21 -39.61 0 4 -1 58 281.382 4 ↓

Analogs

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Popular Name: 6-ethyl-3-(2-methoxyethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(2-methoxyethyl)-2-thi…

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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) 1.58 6.51 -10.55 1 4 0 47 270.379 4 ↓
Hi High (pH 8-9.5) 2.03 5.22 -38.71 0 4 -1 50 269.371 4 ↓

Analogs

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Popular Name: 5-(4-methoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one 5-(4-methoxyphenyl)-2-thioxo-2,3…

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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) 2.51 5.56 -14.33 2 4 0 58 290.369 2 ↓
Hi High (pH 8-9.5) 2.97 5.12 -37.95 1 4 -1 61 289.361 2 ↓

Analogs

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Popular Name: 3-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-(1,1-dioxothian-4-yl)-5,6-dime…

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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) 1.19 5 -16.75 1 5 0 72 344.483 1 ↓
Hi High (pH 8-9.5) 1.64 4.06 -40.33 0 5 -1 75 343.475 1 ↓

Analogs

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Popular Name: 3-(1,1-dioxothian-4-yl)-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-(1,1-dioxothian-4-yl)-2-sulfan…

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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) 0.59 3.61 -18 1 5 0 72 316.429 1 ↓
Hi High (pH 8-9.5) 1.05 2.52 -40.06 0 5 -1 75 315.421 1 ↓

Analogs

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Popular Name: 3-(4-dimethylaminophenyl)-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-(4-dimethylaminophenyl)-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) 2.17 8.09 -14.78 1 4 0 41 303.412 2 ↓

Analogs

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Popular Name: (2R)-2-(2-chloro-5-methyl-phenyl)-N-(6-methyl-4-oxo-5-phenyl-2-sulfanyl-thieno[5,4-d]pyrimidin-3-yl) (2R)-2-(2-chloro-5-methyl-phenyl…

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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) 5.01 13.48 -19.42 2 5 0 67 470.019 4 ↓
Mid Mid (pH 6-8) 5.47 13.06 -49.49 1 5 -1 70 469.011 4 ↓

Analogs

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Popular Name: (2S)-2-(2-chloro-5-methyl-phenyl)-N-(6-methyl-4-oxo-5-phenyl-2-sulfanyl-thieno[5,4-d]pyrimidin-3-yl) (2S)-2-(2-chloro-5-methyl-phenyl…

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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) 5.01 13.48 -19.88 2 5 0 67 470.019 4 ↓
Mid Mid (pH 6-8) 5.47 13.06 -50.4 1 5 -1 70 469.011 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[(5-methylpyrazin-2-yl)methyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-[(5-methylpyrazin…

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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) 1.75 6.75 -12.02 1 5 0 64 318.427 2 ↓
Hi High (pH 8-9.5) 2.20 5.61 -40.56 0 5 -1 67 317.419 2 ↓

Analogs

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Popular Name: 3-[(5-methylpyrazin-2-yl)methyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(5-methylpyrazin-2-yl)methyl]…

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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) 1.15 5.35 -13.08 1 5 0 64 290.373 2 ↓
Hi High (pH 8-9.5) 1.60 4.08 -40.03 0 5 -1 67 289.365 2 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thieno[2,3-d]pyrimidin-4-one 2-sulfanyl-3-[(4R)-4,5,6,7-tetra…

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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) 2.79 8.73 -10.42 1 3 0 38 320.464 1 ↓
Hi High (pH 8-9.5) 3.25 7.78 -37.05 0 3 -1 41 319.456 1 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thieno[2,3-d]pyrimidin-4-one 2-sulfanyl-3-[(4S)-4,5,6,7-tetra…

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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) 2.79 8.89 -12.13 1 3 0 38 320.464 1 ↓
Hi High (pH 8-9.5) 3.25 7.76 -40.79 0 3 -1 41 319.456 1 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-sulfanyl-3-[(1S)-1-(3-thienyl)ethyl]thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-2-sulfanyl-3-[(1S)-…

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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) 2.94 8.92 -8.79 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.40 8.14 -36.38 0 3 -1 41 321.472 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-sulfanyl-3-[(1R)-1-(3-thienyl)ethyl]thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-2-sulfanyl-3-[(1R)-…

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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) 2.94 8.95 -9.2 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.40 8.01 -38.86 0 3 -1 41 321.472 2 ↓

Analogs

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

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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) 2.34 7.56 -11.21 1 3 0 38 294.426 2 ↓
Hi High (pH 8-9.5) 2.80 6.53 -37.84 0 3 -1 41 293.418 2 ↓

Analogs

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

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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) 2.34 7.59 -10.76 1 3 0 38 294.426 2 ↓
Hi High (pH 8-9.5) 2.80 6.55 -37.42 0 3 -1 41 293.418 2 ↓

Analogs

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Popular Name: 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[2-[2-methoxyethyl(methyl)amin…

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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) 1.41 7.77 -33.43 2 5 1 51 328.483 6 ↓
Hi High (pH 8-9.5) 1.41 5.45 -10.78 1 5 0 50 327.475 6 ↓
Hi High (pH 8-9.5) 1.87 4.3 -39.49 0 5 -1 53 326.467 6 ↓

Analogs

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Popular Name: 3-[(1S)-1-cyclohexylethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-cyclohexylethyl]-2-sul…

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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) 3.45 8.69 -9.17 1 3 0 38 294.445 2 ↓
Hi High (pH 8-9.5) 3.91 7.72 -36.84 0 3 -1 41 293.437 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-cyclohexylethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-cyclohexylethyl]-2-sul…

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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) 3.45 9.29 -9.73 1 3 0 38 294.445 2 ↓
Hi High (pH 8-9.5) 3.91 8.2 -37.96 0 3 -1 41 293.437 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-cyclohexylpropyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-cyclohexylpropyl]-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) 3.95 9.47 -8.94 1 3 0 38 308.472 3 ↓
Hi High (pH 8-9.5) 4.41 9.2 -37.96 0 3 -1 41 307.464 3 ↓

Parameters Provided:

ring.id = 28218
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 = 28218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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