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

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Popular Name: (4R)-N-cyclopropyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-cyclopropyl-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) 1.55 6.66 -34.38 2 1 1 17 194.323 2 ↓

Analogs

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Popular Name: (4S)-N-cyclopropyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-cyclopropyl-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) 1.55 6.66 -34.39 2 1 1 17 194.323 2 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2,2-dimethylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-2,2-dimethylcyclopr…

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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) 2.12 8.09 -34.09 2 1 1 17 222.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-2,2-dimethylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-2,2-dimethylcyclopr…

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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) 2.12 8.07 -33.89 2 1 1 17 222.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-2,2-dimethylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-2,2-dimethylcyclopr…

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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) 2.12 8.07 -33.88 2 1 1 17 222.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-2,2-dimethylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-2,2-dimethylcyclopr…

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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) 2.12 8.09 -34.12 2 1 1 17 222.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S,2R)-2-methylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S,2R)-2-methylcyclopro…

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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) 2.16 7.58 -34.02 2 1 1 17 208.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S,2S)-2-methylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S,2S)-2-methylcyclopro…

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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) 2.16 7.35 -34.67 2 1 1 17 208.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,2R)-2-methylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R,2R)-2-methylcyclopro…

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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) 2.16 7.32 -34.5 2 1 1 17 208.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,2S)-2-methylcyclopropyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R,2S)-2-methylcyclopro…

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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) 2.16 7.56 -33.81 2 1 1 17 208.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(cyclopropylamino)-6,7-dihydro-5H-benzothiophene-4-carbonitrile (4S)-4-(cyclopropylamino)-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) 2.31 5.34 -5.06 1 2 0 36 218.325 2 ↓
Lo Low (pH 4.5-6) 2.31 6.47 -38.25 2 2 1 40 219.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(cyclopropylamino)-6,7-dihydro-5H-benzothiophene-4-carbonitrile (4R)-4-(cyclopropylamino)-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) 2.31 5.41 -6.07 1 2 0 36 218.325 2 ↓
Lo Low (pH 4.5-6) 2.31 6.46 -37.78 2 2 1 40 219.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(cyclopropylamino)-6,7-dihydro-5H-benzothiophene-4-carboxamide (4S)-4-(cyclopropylamino)-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) 1.26 3.23 -38.83 4 3 1 60 237.348 3 ↓
Hi High (pH 8-9.5) 1.26 2.11 -6.8 3 3 0 55 236.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(cyclopropylamino)-6,7-dihydro-5H-benzothiophene-4-carboxamide (4R)-4-(cyclopropylamino)-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) 1.26 3.11 -41.67 4 3 1 60 237.348 3 ↓
Hi High (pH 8-9.5) 1.26 2.18 -5.49 3 3 0 55 236.34 3 ↓

Parameters Provided:

ring.id = 210507
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 = 210507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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