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

Analogs

36213847
36213847

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Popular Name: 2-[[(7R)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluor 2-[[(7R)-4-amino-7-methyl-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) 4.88 9.4 -25.2 3 8 0 127 447.517 5 ↓

Analogs

36213845
36213845
22824243
22824243
22824249
22824249

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Popular Name: 2-[[(7S)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluor 2-[[(7S)-4-amino-7-methyl-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) 4.88 9.4 -25.38 3 8 0 127 447.517 5 ↓

Analogs

31823065
31823065

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Popular Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-2-nitro-phe 2-[(4-amino-5,6,7,8-tetrahydrobe…

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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) 4.30 8.37 -17.45 3 9 0 136 445.526 6 ↓

Analogs

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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) 4.91 9.54 -27.32 3 7 0 107 442.566 6 ↓

Analogs

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Popular Name: (2R)-2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)pr (2R)-2-[(4-amino-5,6,7,8-tetrahy…

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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) 4.63 10.05 -17.93 3 8 0 127 429.527 5 ↓

Analogs

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Popular Name: (2S)-2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)pr (2S)-2-[(4-amino-5,6,7,8-tetrahy…

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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) 4.63 9.95 -16.86 3 8 0 127 429.527 5 ↓

Analogs

31823065
31823065

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Popular Name: 2-[[(7R)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-metho 2-[[(7R)-4-amino-7-methyl-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) 4.78 9.01 -17.19 3 9 0 136 459.553 6 ↓

Analogs

31823065
31823065

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7S)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-metho 2-[[(7S)-4-amino-7-methyl-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) 4.78 8.92 -16.19 3 9 0 136 459.553 6 ↓

Analogs

36774439
36774439
36774440
36774440

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Popular Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl) 2-[(4-amino-5,6,7,8-tetrahydrobe…

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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) 3.65 6.15 -29.37 3 8 0 118 477.637 6 ↓

Analogs

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Popular Name: 2-[[(7R)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-cyano 2-[[(7R)-4-amino-7-methyl-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) 4.65 11.94 -20.06 2 6 0 96 455.584 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7S)-4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-cyano 2-[[(7S)-4-amino-7-methyl-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) 4.65 12.01 -21.49 2 6 0 96 455.584 6 ↓

Analogs

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Popular Name: 2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-(2-nitrophenyl)acetami 2-[(4-amino-5,6,7,8-tetrahydrobe…

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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) 4.27 9.06 -17.79 3 8 0 127 415.5 5 ↓

Analogs

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Popular Name: 4-[[2-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-2-yl)sulfanyl]acetyl]amino]-N,N-dim 4-[[2-[(4-amino-5,6,7,8-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) 3.33 7.97 -22.91 3 7 0 101 441.582 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.80 8.55 -28.71 3 7 0 101 455.609 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.80 8.56 -23.2 3 7 0 101 455.609 5 ↓

Parameters Provided:

ring.id = 36771
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 = 36771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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