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

Analogs

9631467
9631467
36783728
36783728
36783729
36783729

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethyl-oxo-BLAHyl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)-acetamide 2-(ethyl-oxo-BLAHyl)sulfanyl-N-(…

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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) 4.03 -1.11 -15.78 1 9 0 119 474.564 7 ↓

Analogs

21741710
21741710
21741714
21741714

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Popular Name: 2-(ethyl-oxo-BLAHyl)sulfanyl-N-(2-nitrophenyl)-acetamide 2-(ethyl-oxo-BLAHyl)sulfanyl-N-(…

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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) 4.00 -0.86 -15.08 1 8 0 109 444.538 6 ↓

Analogs

23555208
23555208
23647854
23647854

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amin 4-[[2-[(3-isopentyl-4-oxo-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) 4.56 10.87 -18.38 2 7 0 93 498.674 8 ↓

Analogs

20889142
20889142
23590099
23590099
23590102
23590102

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

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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) 4.90 12.59 -22.83 1 8 0 110 472.592 6 ↓

Analogs

23590099
23590099
23590102
23590102
20889138
20889138

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

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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) 4.90 12.59 -22.88 1 8 0 110 472.592 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfan (E)-3-[4-[[2-[[3-(2-methoxyethyl…

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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) 3.67 10.61 -62.43 1 8 -1 113 498.606 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.64 9.18 -104.28 1 9 -2 144 471.516 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl] (E)-3-[4-[[2-[(3-methyl-4-oxo-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) 3.68 10.46 -62.8 1 7 -1 104 454.553 6 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[(7R)-3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sul (E)-3-[4-[[2-[[(7R)-3-allyl-7-me…

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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) 4.80 12.55 -61.84 1 7 -1 104 494.618 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-[[(7S)-3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sul (E)-3-[4-[[2-[[(7S)-3-allyl-7-me…

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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) 4.80 12.55 -61.84 1 7 -1 104 494.618 8 ↓

Analogs

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Popular Name: N-ethyl-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluor N-ethyl-2-[(3-ethyl-4-oxo-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) 4.87 13.13 -13.21 0 5 0 55 445.585 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[(3-isobutyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acety (E)-3-[4-[[2-[(3-isobutyl-4-oxo-…

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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) 4.80 12.7 -61.65 1 7 -1 104 496.634 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.28 10.75 -103.57 1 9 -2 144 497.554 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]a (E)-3-[4-[[2-[(3-allyl-4-oxo-5,6…

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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) 4.33 11.95 -62.26 1 7 -1 104 480.591 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[[(7S)-3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sul (E)-3-[4-[[2-[[(7S)-3-ethyl-7-me…

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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) 4.53 11.99 -62.09 1 7 -1 104 482.607 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-[[(7R)-3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sul (E)-3-[4-[[2-[[(7R)-3-ethyl-7-me…

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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) 4.53 11.99 -62.07 1 7 -1 104 482.607 7 ↓

Analogs

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Popular Name: N-(2,6-dibromo-4-methyl-phenyl)-2-[(4-keto-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin N-(2,6-dibromo-4-methyl-phenyl)-…

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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) 5.63 11.85 -13.17 1 5 0 64 557.333 4 ↓

Parameters Provided:

ring.id = 4522
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 = 4522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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