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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: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.37 3.73 -39.03 4 5 1 72 306.459 2 ↓
Hi High (pH 8-9.5) 1.37 2.36 -8.37 3 5 0 67 305.451 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.37 3.7 -41.48 4 5 1 72 306.459 2 ↓
Hi High (pH 8-9.5) 1.37 2.53 -8.07 3 5 0 67 305.451 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.37 3.68 -42.78 4 5 1 72 306.459 2 ↓
Hi High (pH 8-9.5) 1.37 2.35 -8.44 3 5 0 67 305.451 2 ↓

Analogs

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Popular Name: 4-chloro-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[[4-[(1R)-1-methylpro…

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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) 3.11 6.7 -33.51 1 4 1 33 325.889 4 ↓
Hi High (pH 8-9.5) 3.11 4.78 -5.88 0 4 0 32 324.881 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[[4-[(1S)-1-methylpro…

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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) 3.11 6.69 -33.43 1 4 1 33 325.889 4 ↓
Hi High (pH 8-9.5) 3.11 4.8 -5.87 0 4 0 32 324.881 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[4-[(1R)-1-methylpropyl]piper…

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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) 1.91 5.12 -35.18 3 5 1 59 306.459 4 ↓
Hi High (pH 8-9.5) 1.91 3.19 -8.12 2 5 0 58 305.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[4-[(1S)-1-methylpropyl]piper…

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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) 1.91 5.1 -34.04 3 5 1 59 306.459 4 ↓
Hi High (pH 8-9.5) 1.91 3.21 -7.94 2 5 0 58 305.451 4 ↓

Analogs

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Popular Name: 4-chloro-2-[(4-isobutylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[(4-isobutylpiperazin…

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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) 3.02 7.02 -35.42 1 4 1 33 325.889 4 ↓
Hi High (pH 8-9.5) 3.02 5.06 -6.07 0 4 0 32 324.881 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine 2-[(4-isobutylpiperazin-1-yl)met…

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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) 1.83 5.44 -36.16 3 5 1 59 306.459 4 ↓
Hi High (pH 8-9.5) 1.83 3.47 -8.06 2 5 0 58 305.451 4 ↓

Analogs

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Popular Name: 4-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[(4-ethylpiperazin-1-…

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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) 2.87 6.76 -34.9 1 4 1 33 325.889 3 ↓
Mid Mid (pH 6-8) 2.87 6.75 -32.39 1 4 1 33 325.889 3 ↓
Mid Mid (pH 6-8) 2.87 4.49 -6.17 0 4 0 32 324.881 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidine 4-chloro-5,6-dimethyl-2-[(4-meth…

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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) 2.50 6.08 -36.36 1 4 1 33 311.862 2 ↓
Mid Mid (pH 6-8) 2.50 3.71 -6.37 0 4 0 32 310.854 2 ↓
Mid Mid (pH 6-8) 2.50 5.97 -32.4 1 4 1 33 311.862 2 ↓

Parameters Provided:

ring.id = 285923
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 285923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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