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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: 3-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-o 3-propyl-2-[(1,3,5-trimethylpyra…

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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 12.03 -14.7 1 6 0 65 371.51 4 ↓
Lo Low (pH 4.5-6) 4.00 12.16 -39.92 2 6 1 66 372.518 4 ↓

Analogs

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Popular Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimid 2-[(1-ethyl-3,5-dimethyl-pyrazol…

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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) 4.38 12.9 -14.47 1 6 0 65 385.537 5 ↓
Lo Low (pH 4.5-6) 4.38 13.01 -38.87 2 6 1 66 386.545 5 ↓

Analogs

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Popular Name: 2-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyr 2-[(1-isopropyl-3,5-dimethyl-pyr…

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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) 4.74 13.57 -14.26 1 6 0 65 399.564 5 ↓
Lo Low (pH 4.5-6) 4.74 13.7 -37.76 2 6 1 66 400.572 5 ↓

Analogs

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Popular Name: 2-[(1-methylpyrazol-4-yl)amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[(1-methylpyrazol-4-yl)amino]-…

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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) 3.56 11.3 -15.51 1 6 0 65 343.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethylpyrazol-4-yl)amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[(1-ethylpyrazol-4-yl)amino]-3…

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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) 3.93 12.16 -15.45 1 6 0 65 357.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-isopropylpyrazol-4-yl)amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[(1-isopropylpyrazol-4-yl)amin…

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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 12.68 -14.58 1 6 0 65 371.51 5 ↓

Parameters Provided:

ring.id = 539170
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 = 539170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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