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Analogs

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Popular Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2S)-2-[(5,6-dimethylthieno[2,3-…

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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) 0.85 6.07 -53.89 3 6 1 75 320.442 3 ↓
Mid Mid (pH 6-8) 0.85 4.76 -10.09 2 6 0 70 319.434 3 ↓

Analogs

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Popular Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2R)-2-[(5,6-dimethylthieno[2,3-…

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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) 0.85 6.07 -53.26 3 6 1 75 320.442 3 ↓
Mid Mid (pH 6-8) 0.85 4.8 -9.91 2 6 0 70 319.434 3 ↓

Analogs

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Popular Name: 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-ethanone 2-[(6-methylthieno[2,3-d]pyrimid…

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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) 0.15 4.67 -53.14 3 6 1 75 292.388 3 ↓
Mid Mid (pH 6-8) 0.15 3.38 -9.91 2 6 0 70 291.38 3 ↓

Analogs

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Popular Name: (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2S)-2-[(6-ethylthieno[2,3-d]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) 1.05 6.07 -53.22 3 6 1 75 320.442 4 ↓
Mid Mid (pH 6-8) 1.05 4.78 -9.34 2 6 0 70 319.434 4 ↓

Analogs

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Popular Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2R)-2-[(6-ethylthieno[2,3-d]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) 1.05 6.11 -52.79 3 6 1 75 320.442 4 ↓
Mid Mid (pH 6-8) 1.05 4.85 -9.28 2 6 0 70 319.434 4 ↓

Analogs

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Popular Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-1-piperazin-1-yl-propan-1-one 2-[(6-ethylthieno[2,3-d]pyrimidi…

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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) 1.53 7.55 -57.9 3 6 1 75 334.469 4 ↓
Mid Mid (pH 6-8) 1.53 6.25 -9.07 2 6 0 70 333.461 4 ↓

Analogs

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Popular Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-1-piperazin-1-yl-propan-1-one 2-[(5,6-dimethylthieno[2,3-d]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) 1.33 7.17 -55.09 3 6 1 75 334.469 3 ↓
Mid Mid (pH 6-8) 1.33 6.06 -9.53 2 6 0 70 333.461 3 ↓

Analogs

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Popular Name: (2S)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2S)-2-[(6-methylthieno[2,3-d]py…

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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) 0.48 5.29 -53.5 3 6 1 75 306.415 3 ↓
Mid Mid (pH 6-8) 0.48 4 -9.65 2 6 0 70 305.407 3 ↓

Analogs

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Popular Name: (2R)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2R)-2-[(6-methylthieno[2,3-d]py…

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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) 0.48 5.33 -53.09 3 6 1 75 306.415 3 ↓
Mid Mid (pH 6-8) 0.48 4.07 -9.63 2 6 0 70 305.407 3 ↓

Analogs

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Popular Name: 2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one 2-methyl-2-[(6-methylthieno[2,3-…

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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) 0.96 6.77 -57.77 3 6 1 75 320.442 3 ↓
Mid Mid (pH 6-8) 0.96 5.47 -9.36 2 6 0 70 319.434 3 ↓

Analogs

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Popular Name: (2S)-1-piperazin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one (2S)-1-piperazin-1-yl-2-[(2,5,6-…

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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) 0.94 6.01 -54.63 3 6 1 75 334.469 3 ↓
Mid Mid (pH 6-8) 0.94 4.69 -10.65 2 6 0 70 333.461 3 ↓

Analogs

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Popular Name: (2R)-1-piperazin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one (2R)-1-piperazin-1-yl-2-[(2,5,6-…

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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) 0.94 6.01 -53.95 3 6 1 75 334.469 3 ↓
Mid Mid (pH 6-8) 0.94 4.74 -10.42 2 6 0 70 333.461 3 ↓

Analogs

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Popular Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2S)-2-[(6-ethyl-2-methyl-thieno…

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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) 1.14 6 -53.93 3 6 1 75 334.469 4 ↓
Mid Mid (pH 6-8) 1.14 4.71 -9.82 2 6 0 70 333.461 4 ↓

Analogs

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Popular Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-propan-1-one (2R)-2-[(6-ethyl-2-methyl-thieno…

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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) 1.14 6.04 -53.54 3 6 1 75 334.469 4 ↓
Mid Mid (pH 6-8) 1.14 4.79 -9.78 2 6 0 70 333.461 4 ↓

Analogs

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Popular Name: 1-(4-methylpiperazin-1-yl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanone 1-(4-methylpiperazin-1-yl)-2-(th…

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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) 0.52 3.75 -9.81 1 6 0 61 291.38 3 ↓
Mid Mid (pH 6-8) 0.52 6.1 -48.14 2 6 1 63 292.388 3 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanone 1-piperazin-1-yl-2-(thieno[2,3-d…

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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) -0.07 3.85 -53.08 3 6 1 75 278.361 3 ↓
Mid Mid (pH 6-8) -0.07 2.56 -9.97 2 6 0 70 277.353 3 ↓

Analogs

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Popular Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-ethanone 2-[(5,6-dimethylthieno[2,3-d]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) 0.52 5.45 -53.42 3 6 1 75 306.415 3 ↓
Mid Mid (pH 6-8) 0.52 4.15 -10.18 2 6 0 70 305.407 3 ↓

Analogs

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Popular Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-ethanone 2-[(6-ethylthieno[2,3-d]pyrimidi…

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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) 0.72 5.45 -52.86 3 6 1 75 306.415 4 ↓
Mid Mid (pH 6-8) 0.72 4.16 -9.61 2 6 0 70 305.407 4 ↓

Parameters Provided:

ring.id = 182468
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 = 182468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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