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Analogs

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Popular Name: 3-(4-dimethylaminophenyl)-2-sulfanyl-thieno[3,2-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) 2.63 6.71 -49.94 0 4 -1 44 302.404 2 ↓

Analogs

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Popular Name: 3-[(5-methylpyrazin-2-yl)methyl]-2-sulfanyl-thieno[3,2-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) 1.60 3.94 -44.56 0 5 -1 67 289.365 2 ↓
Mid Mid (pH 6-8) 1.15 5.31 -13.65 1 5 0 64 290.373 2 ↓

Analogs

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Popular Name: 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-sulfanyl-thieno[3,2-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) 1.27 5 -36.07 1 5 0 55 299.421 6 ↓
Hi High (pH 8-9.5) 1.27 2.63 -43.21 0 5 -1 53 298.413 6 ↓
Mid Mid (pH 6-8) 0.81 6.35 -34.06 2 5 1 51 300.429 6 ↓

Analogs

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

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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) 1.05 2.46 -47.18 0 5 -1 75 315.421 1 ↓
Mid Mid (pH 6-8) 0.59 3.61 -18.73 1 5 0 72 316.429 1 ↓

Analogs

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

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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) 1.05 2.46 -47.2 0 5 -1 75 315.421 1 ↓
Mid Mid (pH 6-8) 0.59 3.62 -18.7 1 5 0 72 316.429 1 ↓

Analogs

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Popular Name: 2-sulfanyl-3-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-(3,3,3-trifluoropro…

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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 5.01 -37.64 0 3 -1 41 279.288 3 ↓
Mid Mid (pH 6-8) 2.00 6.37 -10.95 1 3 0 38 280.296 3 ↓

Analogs

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Popular Name: 3-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-2-imidazol-1-yl-1-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) 1.30 7.79 -36.03 1 5 0 60 292.389 3 ↓
Mid Mid (pH 6-8) 0.84 8.96 -34.12 2 5 1 57 293.397 3 ↓
Mid Mid (pH 6-8) 0.84 8.44 -14.28 1 5 0 56 292.389 3 ↓

Analogs

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Popular Name: 3-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-2-imidazol-1-yl-1-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) 1.30 7.73 -31.01 1 5 0 60 292.389 3 ↓
Mid Mid (pH 6-8) 0.84 8.89 -32.01 2 5 1 57 293.397 3 ↓
Mid Mid (pH 6-8) 1.30 7.21 -42.78 0 5 -1 59 291.381 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) 1.48 5.25 -45.5 0 5 -1 67 269.327 3 ↓
Mid Mid (pH 6-8) 1.02 6.44 -14.8 1 5 0 64 270.335 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) 1.48 5.25 -45.51 0 5 -1 67 269.327 3 ↓
Mid Mid (pH 6-8) 1.02 6.45 -14.84 1 5 0 64 270.335 3 ↓

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) 1.86 6.17 -45.71 0 5 -1 67 283.354 4 ↓
Mid Mid (pH 6-8) 1.40 7.36 -14.64 1 5 0 64 284.362 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) 1.86 6.16 -45.72 0 5 -1 67 283.354 4 ↓
Mid Mid (pH 6-8) 1.40 7.36 -14.58 1 5 0 64 284.362 4 ↓

Analogs

21949603
21949603

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Popular Name: 3-[(1R)-2-(diethylamino)-1-methyl-ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-2-(diethylamino)-1-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) 2.40 7.02 -29.56 1 4 0 45 297.449 5 ↓
Mid Mid (pH 6-8) 1.94 8.39 -32.74 2 4 1 42 298.457 5 ↓

Analogs

21949603
21949603

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Popular Name: 3-[(1S)-2-(diethylamino)-1-methyl-ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1S)-2-(diethylamino)-1-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) 2.40 7.53 -29.41 1 4 0 45 297.449 5 ↓
Mid Mid (pH 6-8) 1.94 8.69 -30.63 2 4 1 42 298.457 5 ↓

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-[3-(methoxymethyl)phenyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[3-(methoxymethyl)phenyl]-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) 2.67 6.01 -51.04 0 4 -1 50 303.388 3 ↓
Mid Mid (pH 6-8) 2.22 7.39 -16.2 1 4 0 47 304.396 3 ↓

Analogs

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Popular Name: 3-[2-(methoxymethyl)phenyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[2-(methoxymethyl)phenyl]-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) 2.65 6.44 -48.57 0 4 -1 50 303.388 3 ↓
Mid Mid (pH 6-8) 2.19 7.83 -15.28 1 4 0 47 304.396 3 ↓

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-(4-methoxy-3-methyl-phenyl)-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-(4-methoxy-3-methyl-phenyl)-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) 3.18 6.33 -48.09 0 4 -1 50 303.388 2 ↓
Mid Mid (pH 6-8) 2.72 7.7 -15.01 1 4 0 47 304.396 2 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(1S)-1-(2-thienyl)propyl]thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-[(1S)-1-(2-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) 3.62 7.67 -41.89 0 3 -1 41 307.445 3 ↓
Mid Mid (pH 6-8) 3.16 8.76 -11.45 1 3 0 38 308.453 3 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(1R)-1-(2-thienyl)propyl]thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-[(1R)-1-(2-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) 3.62 7.69 -41.24 0 3 -1 41 307.445 3 ↓
Mid Mid (pH 6-8) 3.16 8.78 -11.17 1 3 0 38 308.453 3 ↓

Analogs

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

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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) 2.32 6.07 -42.27 0 4 -1 54 322.46 2 ↓
Mid Mid (pH 6-8) 1.86 7.16 -13.39 1 4 0 51 323.468 2 ↓

Analogs

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

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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) 2.32 6.08 -42.08 0 4 -1 54 322.46 2 ↓
Mid Mid (pH 6-8) 1.86 7.2 -13.2 1 4 0 51 323.468 2 ↓

Analogs

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Popular Name: 3-[(2-methylthiazol-5-yl)methyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(2-methylthiazol-5-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) 1.74 4.88 -41.92 0 4 -1 54 294.406 2 ↓
Mid Mid (pH 6-8) 1.28 6.23 -12.99 1 4 0 51 295.414 2 ↓

Analogs

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Popular Name: 2-sulfanyl-3-(thiazol-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-(thiazol-2-ylmethyl…

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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) 1.51 4.01 -43.98 0 4 -1 54 280.379 2 ↓
Mid Mid (pH 6-8) 1.06 5.36 -13.9 1 4 0 51 281.387 2 ↓

Analogs

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Popular Name: 3-[(2-methylthiazol-4-yl)methyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(2-methylthiazol-4-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) 1.74 4.77 -45.74 0 4 -1 54 294.406 2 ↓
Mid Mid (pH 6-8) 1.28 6.13 -13.46 1 4 0 51 295.414 2 ↓

Analogs

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Popular Name: 3-[(4-methylthiazol-2-yl)methyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(4-methylthiazol-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) 1.74 4.62 -44.75 0 4 -1 54 294.406 2 ↓
Mid Mid (pH 6-8) 1.28 5.97 -14.2 1 4 0 51 295.414 2 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(1S)-1-(2-thienyl)butyl]thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-[(1S)-1-(2-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) 4.17 8.45 -42.12 0 3 -1 41 321.472 4 ↓
Mid Mid (pH 6-8) 3.72 9.54 -11.32 1 3 0 38 322.48 4 ↓

Analogs

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Popular Name: 2-sulfanyl-3-[(1R)-1-(2-thienyl)butyl]thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-[(1R)-1-(2-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) 4.17 8.47 -41.55 0 3 -1 41 321.472 4 ↓
Mid Mid (pH 6-8) 3.72 9.57 -11.03 1 3 0 38 322.48 4 ↓

Analogs

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

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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) 1.31 3.92 -45.48 0 6 -1 68 307.38 4 ↓
Mid Mid (pH 6-8) 0.86 5.3 -15.6 1 6 0 65 308.388 4 ↓

Analogs

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

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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) 2.93 8.37 -29.89 1 4 0 45 311.476 5 ↓
Mid Mid (pH 6-8) 2.47 8.9 -36.19 2 4 1 42 312.484 5 ↓

Analogs

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

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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) 2.93 7.73 -39.46 1 4 0 45 311.476 5 ↓
Mid Mid (pH 6-8) 2.47 9.54 -32.55 2 4 1 42 312.484 5 ↓

Analogs

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Popular Name: 3-(2-propylphenyl)-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-(2-propylphenyl)-2-sulfanyl-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) 4.00 8.19 -47.7 0 3 -1 41 301.416 3 ↓
Mid Mid (pH 6-8) 3.54 9.57 -13.85 1 3 0 38 302.424 3 ↓

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 ↓

Parameters Provided:

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