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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: 6-methyl-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4- 6-methyl-2-[(3-methyl-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) 2.49 9.06 -65.16 1 9 -1 134 457.513 4 ↓
Hi High (pH 8-9.5) 2.95 6.6 -126.43 0 9 -2 137 456.505 4 ↓

Analogs

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Popular Name: 2-[[(7R)-3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl 2-[[(7R)-3-allyl-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) 3.61 11.2 -64.15 1 9 -1 134 497.578 6 ↓
Hi High (pH 8-9.5) 4.07 8.74 -126.05 0 9 -2 137 496.57 6 ↓

Analogs

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Popular Name: 2-[[(7S)-3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl 2-[[(7S)-3-allyl-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) 3.61 11.2 -64.17 1 9 -1 134 497.578 6 ↓
Hi High (pH 8-9.5) 4.07 8.74 -125.97 0 9 -2 137 496.57 6 ↓

Analogs

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Popular Name: 2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-o 2-[(3-allyl-4-oxo-5,6,7,8-tetrah…

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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) 3.14 10.6 -64.59 1 9 -1 134 483.551 6 ↓
Hi High (pH 8-9.5) 3.59 8.14 -126.59 0 9 -2 137 482.543 6 ↓

Analogs

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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]sulfanylmethyl 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) 3.34 10.6 -64.57 1 9 -1 134 485.567 5 ↓
Hi High (pH 8-9.5) 3.80 8.12 -125.62 0 9 -2 137 484.559 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(7R)-3-ethyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl 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) 3.34 10.6 -64.63 1 9 -1 134 485.567 5 ↓
Hi High (pH 8-9.5) 3.80 8.12 -125.65 0 9 -2 137 484.559 5 ↓

Parameters Provided:

ring.id = 117219
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 = 117219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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