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

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-propan-1-one (2R)-3-chloro-1-[(4S)-4-cyclopro…

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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) 3.34 8.69 -7.13 0 2 0 20 283.824 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-propan-1-one (2S)-3-chloro-1-[(4S)-4-cyclopro…

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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) 3.34 8.81 -7.76 0 2 0 20 283.824 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-propan-1-one (2R)-3-chloro-1-[(4R)-4-cyclopro…

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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) 3.34 7.84 -6.07 0 2 0 20 283.824 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-propan-1-one (2S)-3-chloro-1-[(4R)-4-cyclopro…

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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) 3.34 7.82 -6.06 0 2 0 20 283.824 3 ↓

Analogs

43604921
43604921
43604923
43604923

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(ethylamino)propan-1-one 1-[(4S)-4-cyclopropyl-6,7-dihydr…

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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 7.82 -47.36 2 3 1 37 279.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(ethylamino)propan-1-one 1-[(4R)-4-cyclopropyl-6,7-dihydr…

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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 6.95 -47.03 2 3 1 37 279.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(ethylamino)-2-methyl-propan-1-one 1-[(4S)-4-cyclopropyl-6,7-dihydr…

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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) 2.95 7.58 -38.42 2 3 1 37 293.456 4 ↓
Hi High (pH 8-9.5) 2.95 7.62 -6.98 1 3 0 32 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(ethylamino)-2-methyl-propan-1-one 1-[(4R)-4-cyclopropyl-6,7-dihydr…

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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) 2.95 7.01 -41.88 2 3 1 37 293.456 4 ↓
Hi High (pH 8-9.5) 2.95 5.88 -7.02 1 3 0 32 292.448 4 ↓

Analogs

40923251
40923251
40923253
40923253

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-2-(methylamino)propan-1-one 1-[(4S)-4-cyclopropyl-6,7-dihydr…

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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) 2.58 6.75 -39.45 2 3 1 37 279.429 3 ↓
Hi High (pH 8-9.5) 2.58 7.66 -6.24 1 3 0 32 278.421 3 ↓

Analogs

40923251
40923251
40923253
40923253

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methyl-2-(methylamino)propan-1-one 1-[(4R)-4-cyclopropyl-6,7-dihydr…

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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) 2.58 6.2 -43.95 2 3 1 37 279.429 3 ↓
Hi High (pH 8-9.5) 2.58 6.05 -5.41 1 3 0 32 278.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (2S)-2-bromo-1-[(4S)-4-cycloprop…

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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) 3.58 8.99 -6.17 0 2 0 20 328.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (2R)-2-bromo-1-[(4S)-4-cycloprop…

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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) 3.58 9 -8 0 2 0 20 328.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (2S)-2-bromo-1-[(4R)-4-cycloprop…

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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) 3.58 8.12 -6.36 0 2 0 20 328.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (2R)-2-bromo-1-[(4R)-4-cycloprop…

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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) 3.58 8.12 -6.78 0 2 0 20 328.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-methyl-pentan-1-one 4-amino-1-[(4S)-4-cyclopropyl-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) 2.75 7.1 -53.84 3 3 1 48 293.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-methyl-pentan-1-one 4-amino-1-[(4R)-4-cyclopropyl-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) 2.75 6.23 -52.22 3 3 1 48 293.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethoxy]acetic 2-[2-[(4S)-4-cyclopropyl-6,7-dih…

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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) 1.21 8.51 -58.09 0 5 -1 70 294.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethoxy]acetic 2-[2-[(4R)-4-cyclopropyl-6,7-dih…

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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) 1.21 7.49 -55.73 0 5 -1 70 294.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one 5-amino-1-[(4S)-4-cyclopropyl-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) 1.83 6.67 -51.02 3 3 1 48 279.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one 5-amino-1-[(4R)-4-cyclopropyl-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) 1.83 5.83 -49.6 3 3 1 48 279.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one (4S)-4-amino-1-[(4S)-4-cycloprop…

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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) 1.73 6.61 -55.37 3 3 1 48 279.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one (4R)-4-amino-1-[(4S)-4-cycloprop…

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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) 1.73 6.61 -55.25 3 3 1 48 279.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one (4S)-4-amino-1-[(4R)-4-cycloprop…

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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) 1.73 5.76 -54.46 3 3 1 48 279.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one (4R)-4-amino-1-[(4R)-4-cycloprop…

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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) 1.73 5.75 -53.61 3 3 1 48 279.429 4 ↓

Analogs

40467691
40467691
40467695
40467695
42006976
42006976
42006979
42006979
12911262
12911262

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-6-oxo-hexanoic 6-[(4S)-4-cyclopropyl-6,7-dihydr…

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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 10.01 -49.42 0 4 -1 60 306.407 6 ↓

Analogs

40467691
40467691
40467695
40467695
42006976
42006976
42006979
42006979
12911262
12911262

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-6-oxo-hexanoic 6-[(4R)-4-cyclopropyl-6,7-dihydr…

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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 9.16 -47.88 0 4 -1 60 306.407 6 ↓

Analogs

39527356
39527356
39527358
39527358
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-butanoic 4-[(4S)-4-cyclopropyl-6,7-dihydr…

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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) 1.77 8.44 -46.59 0 4 -1 60 278.353 4 ↓
Lo Low (pH 4.5-6) 1.77 6.46 -9.59 1 4 0 58 279.361 4 ↓

Analogs

39527356
39527356
39527358
39527358
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-butanoic 4-[(4R)-4-cyclopropyl-6,7-dihydr…

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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) 1.77 7.59 -45.11 0 4 -1 60 278.353 4 ↓
Lo Low (pH 4.5-6) 1.77 5.62 -8.47 1 4 0 58 279.361 4 ↓

Analogs

40467700
40467700
40467704
40467704
22148315
22148315

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-4-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-but-2-enoic (E)-4-[(4S)-4-cyclopropyl-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) 1.75 8.24 -46.2 0 4 -1 60 276.337 3 ↓

Analogs

40467700
40467700
40467704
40467704
22148315
22148315

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-4-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-but-2-enoic (E)-4-[(4R)-4-cyclopropyl-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) 1.75 7.39 -45.15 0 4 -1 60 276.337 3 ↓

Analogs

12911262
12911262
12911266
12911266

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-5-oxo-pentanoic 5-[(4S)-4-cyclopropyl-6,7-dihydr…

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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) 2.28 9.22 -55.3 0 4 -1 60 292.38 5 ↓

Analogs

12911262
12911262
12911266
12911266

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-5-oxo-pentanoic 5-[(4R)-4-cyclopropyl-6,7-dihydr…

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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) 2.28 8.37 -53.04 0 4 -1 60 292.38 5 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one 3-chloro-1-[(4S)-4-cyclopropyl-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) 2.86 8.37 -8.03 0 2 0 20 269.797 3 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one 3-chloro-1-[(4R)-4-cyclopropyl-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) 2.86 7.53 -6.66 0 2 0 20 269.797 3 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (2S)-2-chloro-1-[(4S)-4-cyclopro…

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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) 2.95 8.07 -6.41 0 2 0 20 269.797 2 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (2R)-2-chloro-1-[(4S)-4-cyclopro…

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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) 2.95 8.08 -5.91 0 2 0 20 269.797 2 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (2S)-2-chloro-1-[(4R)-4-cyclopro…

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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) 2.95 7.31 -7.02 0 2 0 20 269.797 2 ↓

Analogs

40467682
40467682
40467686
40467686
40467700
40467700
40467704
40467704
46710583
46710583

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (2R)-2-chloro-1-[(4R)-4-cyclopro…

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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) 2.95 7.32 -7.55 0 2 0 20 269.797 2 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781328
32781328
32781326
32781326

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-methyl-butan-1-one (2S)-2-bromo-1-[(4S)-4-cycloprop…

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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) 3.83 9.31 -8.88 0 2 0 20 342.302 3 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781328
32781328
32781326
32781326

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-methyl-butan-1-one (2R)-2-bromo-1-[(4S)-4-cycloprop…

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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) 3.83 9.48 -8.53 0 2 0 20 342.302 3 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781328
32781328
32781326
32781326

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-methyl-butan-1-one (2S)-2-bromo-1-[(4R)-4-cycloprop…

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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) 3.83 8.34 -7.29 0 2 0 20 342.302 3 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781328
32781328
32781326
32781326

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-methyl-butan-1-one (2R)-2-bromo-1-[(4R)-4-cycloprop…

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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) 3.83 8.63 -6.12 0 2 0 20 342.302 3 ↓

Analogs

40467691
40467691
40467695
40467695
42006979
42006979
12911262
12911262
12911266
12911266

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one 5-chloro-1-[(4S)-4-cyclopropyl-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) 3.64 9.92 -9.59 0 2 0 20 297.851 5 ↓

Analogs

40467691
40467691
40467695
40467695
42006979
42006979
12911262
12911262
12911266
12911266

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one 5-chloro-1-[(4R)-4-cyclopropyl-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) 3.64 9.07 -8 0 2 0 20 297.851 5 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781314
32781314
32781315
32781315

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one 1-[(4S)-4-cyclopropyl-6,7-dihydr…

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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 7.46 -7.44 0 2 0 20 233.336 2 ↓

Analogs

40467682
40467682
40467700
40467700
40467704
40467704
32781314
32781314
32781315
32781315

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one 1-[(4R)-4-cyclopropyl-6,7-dihydr…

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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 6.57 -7.71 0 2 0 20 233.336 2 ↓

Analogs

20244816
20244816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]butanoic 4-[[(4S)-4-cyclopropyl-6,7-dihyd…

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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 6.88 -50.91 0 5 -1 78 328.435 6 ↓

Analogs

20244816
20244816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]butanoic 4-[[(4R)-4-cyclopropyl-6,7-dihyd…

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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 6.28 -50.46 0 5 -1 78 328.435 6 ↓

Analogs

20244814
20244814
30426412
30426412
30426415
30426415

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]propanoic 3-[[(4S)-4-cyclopropyl-6,7-dihyd…

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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) 1.55 6.1 -47.51 0 5 -1 78 314.408 5 ↓

Analogs

20244814
20244814
30426412
30426412
30426415
30426415

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]propanoic 3-[[(4R)-4-cyclopropyl-6,7-dihyd…

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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) 1.55 5.52 -47.96 0 5 -1 78 314.408 5 ↓

Parameters Provided:

ring.id = 147304
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 147304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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