UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37841437
37841437
37841438
37841438
37841439
37841439
37841440
37841440

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Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone 6,7-dihydro-4H-thieno[3,2-c]pyri…

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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) 0.48 4.09 -9.6 1 4 0 49 233.296 1 ↓

Analogs

37841132
37841132
37841133
37841133
37841439
37841439
37841440
37841440

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone 6,7-dihydro-4H-thieno[3,2-c]pyri…

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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) 0.92 5.49 -9.61 1 4 0 49 261.35 1 ↓

Analogs

42006369
42006369
42006372
42006372
48892099
48892099
48892102
48892102
32781320
32781320

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(1H-pyrazol-4-yl)methanone [(4R)-4-ethyl-6,7-dihydro-4H-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) 1.54 5.74 -12.23 1 4 0 49 261.35 2 ↓

Analogs

42006369
42006369
42006372
42006372
48892099
48892099
48892102
48892102
32781320
32781320

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(1H-pyrazol-4-yl)methanone [(4S)-4-ethyl-6,7-dihydro-4H-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) 1.54 5.66 -9.54 1 4 0 49 261.35 2 ↓

Analogs

42006369
42006369
42006372
42006372
42007110
42007110
42007113
42007113
36165023
36165023

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3,5-dimethyl-1H-pyrazol-4-yl)-[…

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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) 1.99 7.09 -9.69 1 4 0 49 289.404 2 ↓

Analogs

42006369
42006369
42006372
42006372
42007110
42007110
42007113
42007113
36165023
36165023

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3,5-dimethyl-1H-pyrazol-4-yl)-[…

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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) 1.99 7.04 -9.96 1 4 0 49 289.404 2 ↓

Analogs

42006372
42006372
37841440
37841440
37841439
37841439
37841438
37841438
37841437
37841437

Draw Identity 99% 90% 80% 70%

Popular Name: (1,5-dimethylpyrazol-4-yl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (1,5-dimethylpyrazol-4-yl)-[(4R)…

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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 7.59 -10.28 0 4 0 38 289.404 2 ↓

Analogs

42006369
42006369
37841440
37841440
37841439
37841439
37841438
37841438
37841437
37841437

Draw Identity 99% 90% 80% 70%

Popular Name: (1,5-dimethylpyrazol-4-yl)-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (1,5-dimethylpyrazol-4-yl)-[(4S)…

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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 7.51 -9.83 0 4 0 38 289.404 2 ↓

Analogs

42007113
42007113
37841440
37841440
37841439
37841439
37841133
37841133
37841132
37841132

Draw Identity 99% 90% 80% 70%

Popular Name: (1,5-dimethylpyrazol-4-yl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (1,5-dimethylpyrazol-4-yl)-[(4S)…

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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) 1.33 6.61 -9.53 0 4 0 38 275.377 1 ↓

Analogs

42007110
42007110
37841440
37841440
37841439
37841439
37841133
37841133
37841132
37841132

Draw Identity 99% 90% 80% 70%

Popular Name: (1,5-dimethylpyrazol-4-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (1,5-dimethylpyrazol-4-yl)-[(4R)…

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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) 1.33 6.39 -9.53 0 4 0 38 275.377 1 ↓

Parameters Provided:

ring.id = 81726
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 = 81726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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