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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

41527256
41527256

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Popular Name: 2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4 2-[[(2R)-2-hydroxy-2-phenyl-ethy…

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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) 3.86 10.85 -12.05 2 5 0 67 383.517 6 ↓

Analogs

41527255
41527255

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Popular Name: 2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4 2-[[(2S)-2-hydroxy-2-phenyl-ethy…

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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) 3.86 10.76 -12.19 2 5 0 67 383.517 6 ↓

Analogs

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Popular Name: 2-(phenethylamino)-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-(phenethylamino)-3-propyl-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) 4.85 13.95 -12.38 1 4 0 47 367.518 6 ↓

Analogs

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Popular Name: 2-[2-(4-methoxyphenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(4-methoxyphenyl)ethylamino…

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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 13.25 -14.32 1 5 0 56 397.544 7 ↓

Analogs

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Popular Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-on 2-[2-(3,4-dimethoxyphenyl)ethyla…

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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) 4.50 13.14 -17.15 1 6 0 65 427.57 8 ↓

Analogs

41394082
41394082

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Popular Name: 2-[2-(2-fluorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(2-fluorophenyl)ethylamino]…

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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) 4.96 13.99 -13.18 1 4 0 47 385.508 6 ↓

Analogs

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Popular Name: 2-[2-(3-fluorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(3-fluorophenyl)ethylamino]…

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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) 4.99 14.01 -14.1 1 4 0 47 385.508 6 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(4-fluorophenyl)ethylamino]…

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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) 5.01 14.01 -14.35 1 4 0 47 385.508 6 ↓

Analogs

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Popular Name: 2-[2-(2-chlorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(2-chlorophenyl)ethylamino]…

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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) 5.48 14.36 -12.53 1 4 0 47 401.963 6 ↓

Analogs

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Popular Name: 2-[2-(3-chlorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(3-chlorophenyl)ethylamino]…

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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) 5.50 14.46 -13.38 1 4 0 47 401.963 6 ↓

Analogs

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Popular Name: 2-[2-(4-chlorophenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(4-chlorophenyl)ethylamino]…

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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) 5.53 14.47 -13.55 1 4 0 47 401.963 6 ↓

Analogs

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Popular Name: 2-[2-(2-methoxyphenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(2-methoxyphenyl)ethylamino…

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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) 4.86 13.3 -12.9 1 5 0 56 397.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(3-methoxyphenyl)ethylamino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[2-(3-methoxyphenyl)ethylamino…

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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 13.24 -14.12 1 5 0 56 397.544 7 ↓

Parameters Provided:

ring.id = 539127
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 = 539127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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