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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12000679
12000679
40171224
40171224
40171225
40171225
40171238
40171238
40171239
40171239

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Popular Name: 2-[[(2R)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbo 2-[[(2R)-2-(6-methylpyrimidin-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) 2.05 -4.54 -12.56 3 6 0 98 376.507 5 ↓

Analogs

40171224
40171224
40171225
40171225
40171238
40171238
40171239
40171239
40171250
40171250

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Popular Name: 2-[[(2S)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbo 2-[[(2S)-2-(6-methylpyrimidin-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) 2.05 -4.53 -12.25 3 6 0 98 376.507 5 ↓

Analogs

12000685
12000685
40171538
40171538
40171539
40171539
40171558
40171558
40171559
40171559

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Popular Name: (2R)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide (2R)-N-(3-cyano-4,5,6,7-tetrahyd…

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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 -0.2 -8.52 1 5 0 79 358.492 4 ↓

Analogs

40171538
40171538
40171539
40171539
40171558
40171558
40171559
40171559
40171928
40171928

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide (2S)-N-(3-cyano-4,5,6,7-tetrahyd…

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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 -0.19 -8.55 1 5 0 79 358.492 4 ↓

Analogs

12016957
12016957
40171226
40171226
40171227
40171227
40171248
40171248
40171249
40171249

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Popular Name: methyl 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) 3.26 -1 -11.3 1 6 0 81 405.545 6 ↓

Analogs

40171226
40171226
40171227
40171227
40171248
40171248
40171249
40171249
40171536
40171536

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Popular Name: methyl 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) 3.26 -1 -11.33 1 6 0 81 405.545 6 ↓

Analogs

40171226
40171226
40171227
40171227
40171228
40171228
40171229
40171229
40171246
40171246

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Popular Name: ethyl ethyl

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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) 3.16 -1.4 -11.44 1 6 0 81 405.545 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxami 2-[[2-(2,6-dimethylpyrimidin-4-y…

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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 4.74 -15.73 3 6 0 98 376.507 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfany N-[(6R)-3-cyano-6-methyl-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) 3.18 9.13 -10.03 1 5 0 79 372.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfany N-[(6S)-3-cyano-6-methyl-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) 3.18 9.13 -10.03 1 5 0 79 372.519 4 ↓

Parameters Provided:

ring.id = 70406
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 = 70406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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