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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: (3S)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(4-chloro-5,6-dimethyl-t…

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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) 2.75 6.33 -38.95 1 4 1 33 325.889 3 ↓
Hi High (pH 8-9.5) 2.75 3.93 -6.1 0 4 0 32 324.881 3 ↓
Mid Mid (pH 6-8) 2.75 6.42 -32.46 1 4 1 33 325.889 3 ↓

Analogs

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

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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) 2.75 6.41 -38.81 1 4 1 33 325.889 3 ↓
Hi High (pH 8-9.5) 2.75 4.03 -6.05 0 4 0 32 324.881 3 ↓
Mid Mid (pH 6-8) 2.75 6.48 -32.41 1 4 1 33 325.889 3 ↓

Analogs

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Popular Name: (3R)-1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(4-chlorothieno[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) 2.16 5.38 -38.96 1 4 1 33 297.835 3 ↓
Hi High (pH 8-9.5) 2.16 2.97 -6.12 0 4 0 32 296.827 3 ↓
Mid Mid (pH 6-8) 2.16 5.4 -32.55 1 4 1 33 297.835 3 ↓

Analogs

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Popular Name: (3S)-1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(4-chlorothieno[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) 2.16 5.21 -38.96 1 4 1 33 297.835 3 ↓
Hi High (pH 8-9.5) 2.16 2.83 -6.27 0 4 0 32 296.827 3 ↓
Mid Mid (pH 6-8) 2.16 5.29 -32.97 1 4 1 33 297.835 3 ↓

Analogs

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

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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) 1.56 5.23 -32.72 3 5 1 59 306.459 3 ↓
Hi High (pH 8-9.5) 1.56 2.73 -8.52 2 5 0 58 305.451 3 ↓
Mid Mid (pH 6-8) 1.56 5.13 -40.78 3 5 1 59 306.459 3 ↓

Analogs

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

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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) 1.56 5.29 -32.7 3 5 1 59 306.459 3 ↓
Hi High (pH 8-9.5) 1.56 2.83 -8.21 2 5 0 58 305.451 3 ↓
Mid Mid (pH 6-8) 1.56 5.21 -40.11 3 5 1 59 306.459 3 ↓

Analogs

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Popular Name: 2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[(3R)-3-(dimethylamino)pyrrol…

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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 3.8 -40.6 3 5 1 59 278.405 3 ↓
Hi High (pH 8-9.5) 0.96 1.4 -8.51 2 5 0 58 277.397 3 ↓
Mid Mid (pH 6-8) 0.96 3.81 -32.71 3 5 1 59 278.405 3 ↓

Analogs

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Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(dimethylamino)pyrrol…

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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 3.62 -40.11 3 5 1 59 278.405 3 ↓
Hi High (pH 8-9.5) 0.96 1.23 -8.31 2 5 0 58 277.397 3 ↓
Mid Mid (pH 6-8) 0.96 3.71 -33.05 3 5 1 59 278.405 3 ↓

Analogs

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Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.34 4.83 -32.54 2 5 1 45 292.432 4 ↓
Hi High (pH 8-9.5) 1.34 2.33 -8.52 1 5 0 44 291.424 4 ↓
Mid Mid (pH 6-8) 1.34 4.73 -40.18 2 5 1 45 292.432 4 ↓

Analogs

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Popular Name: 2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.34 4.88 -32.66 2 5 1 45 292.432 4 ↓
Hi High (pH 8-9.5) 1.34 2.43 -8.63 1 5 0 44 291.424 4 ↓
Mid Mid (pH 6-8) 1.34 4.8 -40.72 2 5 1 45 292.432 4 ↓

Analogs

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Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.71 5.66 -32.14 2 5 1 45 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 3.16 -7.96 1 5 0 44 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 5.56 -39.56 2 5 1 45 306.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.71 5.72 -32.19 2 5 1 45 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 3.26 -8.09 1 5 0 44 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 5.64 -40.08 2 5 1 45 306.459 5 ↓

Analogs

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Popular Name: 2-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[(3R)-3-(diethylamino)pyrroli…

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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) 1.71 5 -33.56 3 5 1 59 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 2.53 -7.77 2 5 0 58 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 4.64 -36.69 3 5 1 59 306.459 5 ↓

Analogs

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Popular Name: 2-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(diethylamino)pyrroli…

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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) 1.71 5.03 -33.59 3 5 1 59 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 2.57 -8.54 2 5 0 58 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 4.68 -38.07 3 5 1 59 306.459 5 ↓

Analogs

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Popular Name: (3R)-1-[(4-hydrazinothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(4-hydrazinothieno[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) 0.72 3.66 -40.98 4 6 1 72 293.42 4 ↓
Hi High (pH 8-9.5) 0.72 1.27 -9.12 3 6 0 70 292.412 4 ↓
Mid Mid (pH 6-8) 0.72 3.68 -33.06 4 6 1 72 293.42 4 ↓

Analogs

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Popular Name: (3S)-1-[(4-hydrazinothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(4-hydrazinothieno[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) 0.72 3.5 -40.59 4 6 1 72 293.42 4 ↓
Hi High (pH 8-9.5) 0.72 1.1 -8.86 3 6 0 70 292.412 4 ↓
Mid Mid (pH 6-8) 0.72 3.58 -33.35 4 6 1 72 293.42 4 ↓

Analogs

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Popular Name: (3R)-1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[(4-chlorothieno[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) 2.91 6.24 -35.39 1 4 1 33 325.889 5 ↓
Hi High (pH 8-9.5) 2.91 4.11 -5.81 0 4 0 32 324.881 5 ↓
Mid Mid (pH 6-8) 2.91 6.6 -33.64 1 4 1 33 325.889 5 ↓

Analogs

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Popular Name: (3S)-1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(4-chlorothieno[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) 2.91 6.27 -36.8 1 4 1 33 325.889 5 ↓
Hi High (pH 8-9.5) 2.91 4.09 -5.85 0 4 0 32 324.881 5 ↓
Mid Mid (pH 6-8) 2.91 6.57 -33.26 1 4 1 33 325.889 5 ↓

Analogs

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Popular Name: 2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethyl-acetamide 2-[[5,6-dimethyl-2-(pyrrolidin-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) 1.10 8.12 -39.25 2 6 1 63 348.496 5 ↓
Hi High (pH 8-9.5) 1.10 5.68 -10.76 1 6 0 61 347.488 5 ↓

Analogs

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Popular Name: (2R)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (2R)-1-[(4-chloro-5,6-dimethyl-t…

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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) 2.29 4.53 -35.88 3 5 1 73 325.845 3 ↓
Hi High (pH 8-9.5) 2.29 2.48 -14.93 2 5 0 72 324.837 3 ↓
Hi High (pH 8-9.5) 2.04 3.04 -32.84 2 5 0 77 324.837 3 ↓

Analogs

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Popular Name: (2S)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide (2S)-1-[(4-chloro-5,6-dimethyl-t…

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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) 2.29 4.5 -36.02 3 5 1 73 325.845 3 ↓
Hi High (pH 8-9.5) 2.29 2.56 -15.55 2 5 0 72 324.837 3 ↓
Hi High (pH 8-9.5) 2.04 3 -30.91 2 5 0 77 324.837 3 ↓

Parameters Provided:

ring.id = 85543
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 85543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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