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

4218026
4218026
4218027
4218027

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]acetic-ac 2-[[(7S)-2-cyclopropyl-7-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) 4.36 -0.24 -8.02 0 4 0 52 362.52 6 ↓

Analogs

4218026
4218026
4218027
4218027

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]acetic-ac 2-[[(7R)-2-cyclopropyl-7-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) 4.36 -0.24 -7.99 0 4 0 52 362.52 6 ↓

Analogs

4218026
4218026
4218027
4218027

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]acetic-ac 2-[[(7S)-2-cyclopropyl-7-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) 4.72 0.02 -8.1 0 4 0 52 376.547 6 ↓

Analogs

4218026
4218026
4218027
4218027

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]acetic-ac 2-[[(7R)-2-cyclopropyl-7-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) 4.72 0.02 -8.09 0 4 0 52 376.547 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]-N,N-diet 2-[[(7S)-2-cyclopropyl-7-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) 4.23 -0.9 -10.65 0 4 0 46 389.59 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]-N,N-diet 2-[[(7R)-2-cyclopropyl-7-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) 4.23 -0.9 -10.63 0 4 0 46 389.59 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-acetyl-2-[[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio N'-acetyl-2-[[(7S)-2-cyclopropyl…

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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) 2.35 -5.29 -12.95 2 6 0 83 390.534 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-acetyl-2-[[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio N'-acetyl-2-[[(7R)-2-cyclopropyl…

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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) 2.35 -5.29 -12.98 2 6 0 83 390.534 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]t N-tert-butyl-2-[[(7S)-2-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) 4.41 -2.4 -9.91 1 4 0 54 389.59 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]t N-tert-butyl-2-[[(7R)-2-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) 4.41 -2.4 -9.92 1 4 0 54 389.59 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-a 2-cyclopropyl-N-[(1S)-2-methoxy-…

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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) 3.22 9.15 -7.92 1 4 0 47 317.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-2-methoxy-1-methyl-ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-a 2-cyclopropyl-N-[(1R)-2-methoxy-…

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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) 3.22 9.13 -7.94 1 4 0 47 317.458 5 ↓

Parameters Provided:

ring.id = 224798
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 = 224798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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