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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-[2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(2S)-tetrahydrofuran-2-yl…

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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) 0.62 5.7 -53.37 2 5 1 61 280.373 5 ↓
Hi High (pH 8-9.5) 0.62 4.28 -15.96 1 5 0 56 279.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(2R)-tetrahydrofuran-2-yl…

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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) 0.62 5.71 -51.06 2 5 1 61 280.373 5 ↓
Hi High (pH 8-9.5) 0.62 4.37 -13.13 1 5 0 56 279.365 5 ↓

Analogs

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Popular Name: 3-[2-[[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(1S)-1-[(2S)-tetrahydrofu…

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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) 1.30 6.44 -49.97 2 5 1 61 294.4 5 ↓
Hi High (pH 8-9.5) 1.30 5.16 -11.86 1 5 0 56 293.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(1R)-1-[(2S)-tetrahydrofu…

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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) 1.30 6.13 -52.18 2 5 1 61 294.4 5 ↓
Hi High (pH 8-9.5) 1.30 4.95 -12.61 1 5 0 56 293.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(1S)-1-[(2R)-tetrahydrofu…

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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) 1.30 6.17 -49.44 2 5 1 61 294.4 5 ↓
Hi High (pH 8-9.5) 1.30 4.92 -12.15 1 5 0 56 293.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-[[(1R)-1-[(2R)-tetrahydrofu…

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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) 1.30 6.4 -52.93 2 5 1 61 294.4 5 ↓
Hi High (pH 8-9.5) 1.30 5.51 -12.9 1 5 0 56 293.392 5 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-[2-[[(2S)-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) 1.22 7.1 -53.12 2 5 1 61 308.427 5 ↓
Hi High (pH 8-9.5) 1.22 5.68 -15.44 1 5 0 56 307.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-[2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-[2-[[(2R)-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) 1.22 7.11 -50.91 2 5 1 61 308.427 5 ↓
Hi High (pH 8-9.5) 1.22 5.77 -12.76 1 5 0 56 307.419 5 ↓

Parameters Provided:

ring.id = 72520
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 = 72520 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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