UCSF
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Analogs

13587409
13587409

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Popular Name: isopropyl isopropyl

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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 3.17 -52.07 3 5 1 68 242.324 3 ↓
Hi High (pH 8-9.5) 1.14 -0.1 -43.41 1 5 -1 70 240.308 3 ↓
Hi High (pH 8-9.5) 2.44 0 -10.26 2 5 0 66 241.316 2 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-1-(o-tolyl)pyrazole-4-carboxam 5-cyclopropyl-N-(5-methyl-6,7-di…

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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) 3.06 8.58 -11.22 1 6 0 63 393.516 4 ↓
Hi High (pH 8-9.5) 3.12 7.52 -47.04 0 6 -1 69 392.508 4 ↓
Mid Mid (pH 6-8) 3.06 11.05 -44.47 2 6 1 64 394.524 4 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenoxy)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)acetamide 2-(3,4-dichlorophenoxy)-N-(5-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) 3.46 6.37 -16.47 1 5 0 54 372.277 4 ↓
Mid Mid (pH 6-8) 3.46 8.84 -50.06 2 5 1 56 373.285 4 ↓

Analogs

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Popular Name: (2R)-2-(2-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)propanamide (2R)-2-(2-cyanophenoxy)-N-(5-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) 2.24 6.24 -19.23 1 6 0 78 342.424 4 ↓
Mid Mid (pH 6-8) 2.24 9.02 -59.17 2 6 1 79 343.432 4 ↓

Analogs

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Popular Name: (2S)-2-(2-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)propanamide (2S)-2-(2-cyanophenoxy)-N-(5-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) 2.24 6.24 -19.2 1 6 0 78 342.424 4 ↓
Mid Mid (pH 6-8) 2.24 9 -59.12 2 6 1 79 343.432 4 ↓

Analogs

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Popular Name: (3R)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-1-pyrazin-2-yl-piperidine-3-carboxamide (3R)-N-(5-methyl-6,7-dihydro-4H-…

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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 3.56 -12 1 7 0 74 358.471 3 ↓
Mid Mid (pH 6-8) 1.41 6.02 -44.98 2 7 1 75 359.479 3 ↓

Analogs

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Popular Name: (3S)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-1-pyrazin-2-yl-piperidine-3-carboxamide (3S)-N-(5-methyl-6,7-dihydro-4H-…

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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 3.04 -12 1 7 0 74 358.471 3 ↓
Mid Mid (pH 6-8) 1.41 5.51 -45.26 2 7 1 75 359.479 3 ↓

Analogs

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Popular Name: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-[2-[3-[(4-methylpiperazin-1-yl)methyl]phen N-(5-methyl-6,7-dihydro-4H-thiaz…

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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) 3.06 7.85 -47.14 2 7 1 66 483.687 6 ↓
Hi High (pH 8-9.5) 3.06 5.48 -14.91 1 7 0 65 482.679 6 ↓
Mid Mid (pH 6-8) 3.06 10.57 -90.6 3 7 2 67 484.695 6 ↓

Analogs

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Popular Name: 2-methoxy-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)acetamide 2-methoxy-N-(4,5,6,7-tetrahydrot…

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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) 0.23 2.3 -56.11 3 5 1 68 228.297 3 ↓
Mid Mid (pH 6-8) 0.23 0.57 -11.81 2 5 0 63 227.289 3 ↓

Analogs

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Popular Name: N-(5-ethyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-ethylsulfanyl-pyridine-4-carboxamide N-(5-ethyl-6,7-dihydro-4H-thiazo…

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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) 2.61 6.13 -15.42 1 5 0 58 348.497 5 ↓
Mid Mid (pH 6-8) 2.61 8.4 -49.12 2 5 1 59 349.505 5 ↓

Analogs

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Popular Name: N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-ethylsulfonyl-acetamide N-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 1.67 6.68 -64.86 2 6 1 81 380.515 6 ↓
Mid Mid (pH 6-8) 1.67 4.4 -31.22 1 6 0 79 379.507 6 ↓

Analogs

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Popular Name: 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)benzamide 2-methoxy-5-methyl-N-(4,5,6,7-te…

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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 6.44 -55.81 3 5 1 68 304.395 3 ↓
Mid Mid (pH 6-8) 2.94 4.71 -11.7 2 5 0 63 303.387 3 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)acetamide 2-(3-chlorophenyl)-N-(4,5,6,7-te…

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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) 2.71 6.45 -54.73 3 4 1 59 308.814 3 ↓
Mid Mid (pH 6-8) 2.71 4.77 -11.41 2 4 0 54 307.806 3 ↓

Analogs

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Popular Name: 3-(p-tolyl)-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)propanamide 3-(p-tolyl)-N-(4,5,6,7-tetrahydr…

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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) 3.02 7.42 -52.65 3 4 1 59 302.423 4 ↓
Mid Mid (pH 6-8) 3.02 5.75 -9.41 2 4 0 54 301.415 4 ↓

Analogs

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Popular Name: 2-(4-pyridylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4-pyridylmethyl)-4,5,6,7-tetr…

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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) 1.35 4.58 -47.5 2 3 1 42 232.332 2 ↓
Mid Mid (pH 6-8) 1.35 3.19 -8.01 1 3 0 38 231.324 2 ↓
Lo Low (pH 4.5-6) 1.35 5.04 -87.33 3 3 2 44 233.34 2 ↓

Analogs

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Popular Name: 2-(3-pyridylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(3-pyridylmethyl)-4,5,6,7-tetr…

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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) 1.40 4.55 -47.68 2 3 1 42 232.332 2 ↓
Mid Mid (pH 6-8) 1.40 3.17 -8.78 1 3 0 38 231.324 2 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-thienylmethyl)-4,5,6,7-tetr…

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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) 2.54 5.45 -45.99 2 2 1 29 237.373 2 ↓
Mid Mid (pH 6-8) 2.54 4.07 -7.03 1 2 0 25 236.365 2 ↓

Analogs

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Popular Name: 2-(methylsulfonylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(methylsulfonylmethyl)-4,5,6,7…

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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) 0.05 0.09 -55.64 2 4 1 64 233.338 2 ↓
Mid Mid (pH 6-8) 0.05 -1.3 -18.28 1 4 0 59 232.33 2 ↓

Analogs

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Popular Name: 2-cyclopentyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-cyclopentyl-4,5,6,7-tetrahydro…

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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 5.19 -43.61 2 2 1 29 209.338 1 ↓
Mid Mid (pH 6-8) 2.06 3.75 -5.32 1 2 0 25 208.33 1 ↓

Analogs

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Popular Name: 2-(4H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4H-1,2,4-triazol-3-yl)-4,5,6,…

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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) 0.64 2.62 -72.03 2 5 0 69 207.262 1 ↓
Mid Mid (pH 6-8) 0.64 1.25 -43.32 1 5 -1 65 206.254 1 ↓
Mid Mid (pH 6-8) 0.64 2.78 -54.15 3 5 1 71 208.27 1 ↓

Analogs

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Popular Name: N,N-diethyl-2-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)ethanamine N,N-diethyl-2-(4,5,6,7-tetrahydr…

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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) 1.64 6 -87.15 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.64 2.48 -4.83 1 3 0 28 239.388 5 ↓
Mid Mid (pH 6-8) 1.64 4.6 -36.02 2 3 1 29 240.396 5 ↓

Analogs

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Popular Name: 2-cyclohexyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-cyclohexyl-4,5,6,7-tetrahydrot…

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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) 2.57 5.83 -43.56 2 2 1 29 223.365 1 ↓
Mid Mid (pH 6-8) 2.57 4.45 -5.08 1 2 0 25 222.357 1 ↓

Analogs

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Popular Name: 2-(2-pyridylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-pyridylmethyl)-4,5,6,7-tetr…

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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) 1.47 4.53 -46.97 2 3 1 42 232.332 2 ↓
Mid Mid (pH 6-8) 1.47 3.15 -10.17 1 3 0 38 231.324 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-cyclopropyl-4,5,6,7-tetrahydro…

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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) 1.03 4.09 -44.86 2 2 1 29 181.284 1 ↓
Mid Mid (pH 6-8) 1.03 2.69 -5.22 1 2 0 25 180.276 1 ↓

Analogs

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Popular Name: 2-isobutyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-isobutyl-4,5,6,7-tetrahydrothi…

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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) 1.98 4.74 -43.44 2 2 1 29 197.327 2 ↓
Mid Mid (pH 6-8) 1.98 3.35 -5.05 1 2 0 25 196.319 2 ↓

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[[(2R)-tetrahydrofuran-2-yl]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) 1.23 3.62 -45.99 2 3 1 39 225.337 2 ↓
Mid Mid (pH 6-8) 1.23 2.24 -8.56 1 3 0 34 224.329 2 ↓

Analogs

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[[(2S)-tetrahydrofuran-2-yl]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) 1.23 3.64 -44.04 2 3 1 39 225.337 2 ↓
Mid Mid (pH 6-8) 1.23 2.25 -7.02 1 3 0 34 224.329 2 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-fluorophenyl)-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) 2.98 5.85 -48.08 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 2.98 4.25 -7.91 1 2 0 25 234.299 1 ↓

Analogs

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Popular Name: 2-(2-thienyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-thienyl)-4,5,6,7-tetrahydro…

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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 4.75 -46.8 2 2 1 29 223.346 1 ↓
Mid Mid (pH 6-8) 2.65 3.38 -7.25 1 2 0 25 222.338 1 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4-fluorophenyl)-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) 3.03 5.71 -46.7 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 3.03 4.34 -5.43 1 2 0 25 234.299 1 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(3-bromophenyl)-4,5,6,7-tetrah…

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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) 3.65 6.25 -46.02 2 2 1 29 296.213 1 ↓
Mid Mid (pH 6-8) 3.65 4.89 -6.53 1 2 0 25 295.205 1 ↓

Analogs

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Popular Name: 2-tert-butyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-tert-butyl-4,5,6,7-tetrahydrot…

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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 4.42 -43.63 2 2 1 29 197.327 1 ↓
Mid Mid (pH 6-8) 2.38 3.04 -5.41 1 2 0 25 196.319 1 ↓

Analogs

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Popular Name: 2-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)acetonitrile 2-(4,5,6,7-tetrahydrothiazolo[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) 0.64 3.06 -50.39 2 3 1 53 180.256 1 ↓
Mid Mid (pH 6-8) 0.64 1.66 -9.36 1 3 0 49 179.248 1 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(4-fluorophenyl)methyl]-4,5,6…

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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) 2.80 6.39 -46.37 2 2 1 29 249.334 2 ↓
Mid Mid (pH 6-8) 2.80 5.02 -6.97 1 2 0 25 248.326 2 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine 2-(3-chlorophenyl)-4H,5H,6H,7H-[…

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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) 3.52 6.15 -46.06 2 2 1 29 251.762 1 ↓
Mid Mid (pH 6-8) 3.52 4.79 -6.55 1 2 0 25 250.754 1 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-chlorophenyl)methyl]-4,5,6…

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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) 3.29 6.85 -46.21 2 2 1 29 265.789 2 ↓
Mid Mid (pH 6-8) 3.29 5.46 -7.25 1 2 0 25 264.781 2 ↓

Analogs

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Popular Name: 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(4-bromophenyl)methyl]-4,5,6,…

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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 6.96 -45.71 2 2 1 29 310.24 2 ↓
Mid Mid (pH 6-8) 3.45 5.58 -6.33 1 2 0 25 309.232 2 ↓

Analogs

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Popular Name: 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2,4-dichlorophenyl)methyl]-4…

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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) 3.92 7.36 -45.67 2 2 1 29 300.234 2 ↓
Mid Mid (pH 6-8) 3.92 5.97 -6.93 1 2 0 25 299.226 2 ↓

Analogs

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Popular Name: 2-(4-Bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4-Bromophenyl)-4,5,6,7-tetrah…

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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) 3.67 6.26 -46.38 2 2 1 29 296.213 1 ↓
Mid Mid (pH 6-8) 3.67 4.9 -5.07 1 2 0 25 295.205 1 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(3-fluorophenyl)-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) 3.00 5.71 -46.65 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 3.00 4.34 -7.22 1 2 0 25 234.299 1 ↓

Analogs

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Popular Name: 2-pyrimidin-2-yl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-pyrimidin-2-yl-4,5,6,7-tetrahy…

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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) 1.04 2.95 -52.18 2 4 1 55 219.293 1 ↓
Mid Mid (pH 6-8) 1.04 1.59 -12.09 1 4 0 51 218.285 1 ↓

Analogs

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Popular Name: 2-(3-thienyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(3-thienyl)-4,5,6,7-tetrahydro…

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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 4.58 -45.88 2 2 1 29 223.346 1 ↓
Mid Mid (pH 6-8) 2.45 3.2 -6.08 1 2 0 25 222.338 1 ↓

Analogs

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Popular Name: 2-pyrazin-2-yl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-pyrazin-2-yl-4,5,6,7-tetrahydr…

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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) 1.04 1.99 -49.49 2 4 1 55 219.293 1 ↓
Mid Mid (pH 6-8) 1.04 0.59 -10.1 1 4 0 51 218.285 1 ↓

Analogs

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Popular Name: 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-fluorophenyl)methyl]-4,5,6…

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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) 2.78 6.4 -47.19 2 2 1 29 249.334 2 ↓
Mid Mid (pH 6-8) 2.78 5.02 -8.12 1 2 0 25 248.326 2 ↓

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-methoxyphenyl)methyl]-4,5,…

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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) 2.67 5.64 -47.22 2 3 1 39 261.37 3 ↓
Mid Mid (pH 6-8) 2.67 4.25 -8.82 1 3 0 34 260.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2-chlorophenyl)methyl]-4,5,6…

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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) 3.27 6.7 -44.32 2 2 1 29 265.789 2 ↓
Mid Mid (pH 6-8) 3.27 5.32 -6.01 1 2 0 25 264.781 2 ↓

Analogs

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Popular Name: 2-[(1S,3R)-3-methylcyclohexyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(1S,3R)-3-methylcyclohexyl]-4…

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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) 2.57 6.44 -43.52 2 2 1 29 237.392 1 ↓
Mid Mid (pH 6-8) 2.57 5.06 -4.93 1 2 0 25 236.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(1S,3S)-3-methylcyclohexyl]-4…

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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) 2.57 6.21 -43.48 2 2 1 29 237.392 1 ↓
Mid Mid (pH 6-8) 2.57 4.82 -4.98 1 2 0 25 236.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-methylcyclohexyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(1R,3R)-3-methylcyclohexyl]-4…

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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) 2.57 6.21 -43.5 2 2 1 29 237.392 1 ↓
Mid Mid (pH 6-8) 2.57 4.82 -5.02 1 2 0 25 236.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-methylcyclohexyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(1R,3S)-3-methylcyclohexyl]-4…

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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) 2.57 6.44 -43.54 2 2 1 29 237.392 1 ↓
Mid Mid (pH 6-8) 2.57 5.06 -5 1 2 0 25 236.384 1 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 4740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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