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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-[(2S)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrimidin-4-amine 6-[(2S)-2-(aminomethyl)-2,3-dihy…

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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) 0.92 6.05 -47.17 3 5 1 66 271.344 3 ↓
Hi High (pH 8-9.5) 0.92 5.53 -12.23 2 5 0 64 270.336 3 ↓
Mid Mid (pH 6-8) 0.92 6.36 -93.37 4 5 2 67 272.352 3 ↓

Analogs

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Popular Name: 6-[(2R)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrimidin-4-amine 6-[(2R)-2-(aminomethyl)-2,3-dihy…

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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) 0.92 6.07 -46.78 3 5 1 66 271.344 3 ↓
Hi High (pH 8-9.5) 0.92 5.61 -10.7 2 5 0 64 270.336 3 ↓
Mid Mid (pH 6-8) 0.92 6.41 -92.77 4 5 2 67 272.352 3 ↓

Analogs

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Popular Name: 6-[(2S)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N-isopropyl-pyrimidin-4-amine 6-[(2S)-2-(aminomethyl)-5-methyl…

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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) 1.75 6.3 -46.32 4 5 1 75 299.398 4 ↓
Hi High (pH 8-9.5) 1.75 5.86 -10.8 3 5 0 73 298.39 4 ↓
Lo Low (pH 4.5-6) 1.75 6.59 -93.89 5 5 2 76 300.406 4 ↓

Analogs

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Popular Name: 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N-isopropyl-pyrimidin-4-amine 6-[(2R)-2-(aminomethyl)-5-methyl…

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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) 1.75 6.32 -45.95 4 5 1 75 299.398 4 ↓
Hi High (pH 8-9.5) 1.75 5.94 -9.31 3 5 0 73 298.39 4 ↓
Lo Low (pH 4.5-6) 1.75 6.64 -93.37 5 5 2 76 300.406 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N,6-trimethyl-pyrimidin-2-amine 4-[(2S)-2-(aminomethyl)-5-fluoro…

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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) 1.99 7.63 -52.39 3 5 1 66 303.361 3 ↓
Hi High (pH 8-9.5) 1.99 7.24 -10.19 2 5 0 64 302.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N,6-trimethyl-pyrimidin-2-amine 4-[(2R)-2-(aminomethyl)-5-fluoro…

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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) 1.99 7.68 -51.96 3 5 1 66 303.361 3 ↓
Hi High (pH 8-9.5) 1.99 7.37 -9.29 2 5 0 64 302.353 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N,N,6-trimethyl-pyrimidin-2-amine 4-[(2S)-2-(aminomethyl)-2,3-dihy…

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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) 1.88 7.48 -50.24 3 5 1 66 285.371 3 ↓
Hi High (pH 8-9.5) 1.88 7.1 -11.33 2 5 0 64 284.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N,N,6-trimethyl-pyrimidin-2-amine 4-[(2R)-2-(aminomethyl)-2,3-dihy…

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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) 1.88 7.53 -49.86 3 5 1 66 285.371 3 ↓
Hi High (pH 8-9.5) 1.88 7.04 -12.1 2 5 0 64 284.363 3 ↓

Analogs

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Popular Name: [(2S)-5-chloro-7-(2-methyl-5-propyl-pyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-5-chloro-7-(2-methyl-5-pro…

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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) 2.48 6.51 -48.35 3 4 1 63 318.828 4 ↓
Hi High (pH 8-9.5) 2.48 6.09 -9.33 2 4 0 61 317.82 4 ↓

Analogs

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Popular Name: [(2R)-5-chloro-7-(2-methyl-5-propyl-pyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-5-chloro-7-(2-methyl-5-pro…

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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) 2.48 6.54 -47.83 3 4 1 63 318.828 4 ↓
Hi High (pH 8-9.5) 2.48 6.16 -7.74 2 4 0 61 317.82 4 ↓

Analogs

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Popular Name: 6-[(2S)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N2,N2-diethyl-pyrimidine-2,4-diamine 6-[(2S)-2-(aminomethyl)-5-methyl…

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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) 2.42 8.41 -87.09 6 6 2 93 329.448 5 ↓
Hi High (pH 8-9.5) 2.42 7.93 -10.41 4 6 0 90 327.432 5 ↓
Mid Mid (pH 6-8) 2.42 8.31 -50.79 5 6 1 92 328.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N2,N2-diethyl-pyrimidine-2,4-diamine 6-[(2R)-2-(aminomethyl)-5-methyl…

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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) 2.42 8.44 -86.74 6 6 2 93 329.448 5 ↓
Hi High (pH 8-9.5) 2.42 7.86 -11.15 4 6 0 90 327.432 5 ↓
Mid Mid (pH 6-8) 2.42 8.38 -49.83 5 6 1 92 328.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-5-methyl-7-(2-methyl-5-propyl-pyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-5-methyl-7-(2-methyl-5-pro…

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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) 2.25 6.68 -46.33 3 4 1 63 298.41 4 ↓
Hi High (pH 8-9.5) 2.25 6.26 -10.9 2 4 0 61 297.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-5-methyl-7-(2-methyl-5-propyl-pyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-5-methyl-7-(2-methyl-5-pro…

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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) 2.25 6.7 -45.84 3 4 1 63 298.41 4 ↓
Hi High (pH 8-9.5) 2.25 6.33 -9.18 2 4 0 61 297.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-6-methoxy-pyrimidin-2-amine 4-[(2S)-2-(aminomethyl)-5-fluoro…

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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) 0.80 2.32 -52.37 5 6 1 98 291.306 3 ↓
Hi High (pH 8-9.5) 0.80 1.89 -9.1 4 6 0 96 290.298 3 ↓
Lo Low (pH 4.5-6) 0.80 2.64 -98.47 6 6 2 99 292.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-6-methoxy-pyrimidin-2-amine 4-[(2R)-2-(aminomethyl)-5-fluoro…

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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) 0.80 2.35 -51.98 5 6 1 98 291.306 3 ↓
Hi High (pH 8-9.5) 0.80 1.97 -8.05 4 6 0 96 290.298 3 ↓
Lo Low (pH 4.5-6) 0.80 3.27 -94.93 6 6 2 99 292.314 3 ↓

Parameters Provided:

ring.id = 538905
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 = 538905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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