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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: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(2R)-1-ethylpyrroli…

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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) 1.81 6.89 -37.59 2 4 1 42 241.746 4 ↓
Hi High (pH 8-9.5) 1.81 4.75 -4.24 1 4 0 41 240.738 4 ↓

Analogs

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Popular Name: 6-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrimidin-4-amine 6-chloro-N-[[(2S)-1-ethylpyrroli…

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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) 1.81 6.14 -40.5 2 4 1 42 241.746 4 ↓
Hi High (pH 8-9.5) 1.81 3.81 -4.15 1 4 0 41 240.738 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(2R)-1-ethylpyrroli…

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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) 2.23 6.87 -39.32 2 4 1 42 255.773 4 ↓
Hi High (pH 8-9.5) 2.23 4.74 -6.24 1 4 0 41 254.765 4 ↓

Analogs

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Popular Name: 2-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-pyrimidin-4-amine 2-chloro-N-[[(2S)-1-ethylpyrroli…

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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) 2.23 6.89 -39.38 2 4 1 42 255.773 4 ↓
Hi High (pH 8-9.5) 2.23 4.73 -6.31 1 4 0 41 254.765 4 ↓

Analogs

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Popular Name: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(2R)-1-ethylpyrroli…

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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) 1.90 6.84 -37.73 2 4 1 42 255.773 4 ↓
Hi High (pH 8-9.5) 1.90 4.71 -4.57 1 4 0 41 254.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-chloro-N-[[(2S)-1-ethylpyrroli…

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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) 1.90 6.86 -37.79 2 4 1 42 255.773 4 ↓
Hi High (pH 8-9.5) 1.90 4.7 -4.66 1 4 0 41 254.765 4 ↓

Analogs

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Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(2R)-1-ethylpyrrolidin-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) 0.88 6.41 -36.61 2 4 1 42 221.328 4 ↓
Hi High (pH 8-9.5) 0.88 4.29 -5.48 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 0.88 6.86 -82.31 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine N-[[(2S)-1-ethylpyrrolidin-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) 0.88 5.66 -40.39 2 4 1 42 221.328 4 ↓
Hi High (pH 8-9.5) 0.88 3.35 -5.11 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 0.88 6.11 -85.18 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(2S)-pyrrolidin-2-y…

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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) 0.26 3.56 -41.68 3 4 1 54 193.274 3 ↓
Mid Mid (pH 6-8) 0.26 4 -86.8 4 4 2 56 194.282 3 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(2R)-pyrrolidin-2-y…

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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) 0.26 3.43 -42.06 3 4 1 54 193.274 3 ↓
Mid Mid (pH 6-8) 0.26 3.87 -87.28 4 4 2 56 194.282 3 ↓

Analogs

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Popular Name: 6-(aminomethyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(aminomethyl)-N-[[(2R)-1-ethyl…

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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 4.38 -93.71 5 5 2 70 251.378 5 ↓
Hi High (pH 8-9.5) 0.52 1.84 -5.35 3 5 0 67 249.362 5 ↓
Mid Mid (pH 6-8) 0.52 3.97 -36.12 4 5 1 68 250.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(aminomethyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(aminomethyl)-N-[[(2S)-1-ethyl…

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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 4.4 -94.38 5 5 2 70 251.378 5 ↓
Hi High (pH 8-9.5) 0.52 1.84 -5.59 3 5 0 67 249.362 5 ↓
Mid Mid (pH 6-8) 0.52 4 -36.03 4 5 1 68 250.37 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-isopropyl-2-methyl-pyrimidin-4-amine N-[[(2R)-1-ethylpyrrolidin-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) 2.37 8.25 -37.02 2 4 1 42 263.409 5 ↓
Hi High (pH 8-9.5) 2.37 6.12 -5.57 1 4 0 41 262.401 5 ↓
Mid Mid (pH 6-8) 2.37 8.88 -79.29 3 4 2 43 264.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-isopropyl-2-methyl-pyrimidin-4-amine N-[[(2S)-1-ethylpyrrolidin-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) 2.37 8.27 -37.17 2 4 1 42 263.409 5 ↓
Hi High (pH 8-9.5) 2.37 6.11 -5.73 1 4 0 41 262.401 5 ↓
Mid Mid (pH 6-8) 2.37 8.9 -79 3 4 2 43 264.417 5 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(2R)-1-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) 0.32 5.19 -90.74 5 5 2 70 265.405 6 ↓
Hi High (pH 8-9.5) 0.32 3.06 -47.04 4 5 1 69 264.397 6 ↓
Lo Low (pH 4.5-6) 0.32 5.54 -171.13 6 5 3 71 266.413 6 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(2S)-1-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) 0.32 5.21 -91.24 5 5 2 70 265.405 6 ↓
Hi High (pH 8-9.5) 0.32 3.05 -47.04 4 5 1 69 264.397 6 ↓
Lo Low (pH 4.5-6) 0.32 5.57 -171.52 6 5 3 71 266.413 6 ↓

Parameters Provided:

ring.id = 21810
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 = 21810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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