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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41192690
41192690

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl(thiazol-2-yl)methyl]propan-1-amine N-[(S)-2,3-dihydrobenzofuran-5-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) 2.84 6.63 -38.66 2 3 1 39 275.397 5 ↓
Hi High (pH 8-9.5) 2.84 5.51 -6.96 1 3 0 34 274.389 5 ↓

Analogs

41192687
41192687

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl(thiazol-2-yl)methyl]propan-1-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 2.84 6.62 -38.47 2 3 1 39 275.397 5 ↓
Hi High (pH 8-9.5) 2.84 5.63 -6.21 1 3 0 34 274.389 5 ↓

Analogs

41193263
41193263
41189639
41189639
41189642
41189642

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(S)-2,3-dihydrobenzofuran-5-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) 3.06 7.21 -39.98 2 3 1 39 289.424 5 ↓
Hi High (pH 8-9.5) 3.06 6.15 -6.4 1 3 0 34 288.416 5 ↓

Analogs

41189639
41189639
41189642
41189642
41193260
41193260

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 3.06 7.22 -39.64 2 3 1 39 289.424 5 ↓
Hi High (pH 8-9.5) 3.06 6.16 -6.42 1 3 0 34 288.416 5 ↓

Analogs

41193792
41193792
41190204
41190204
41190207
41190207

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl-(4,5-dimethylthiazol-2-yl)methyl]propan-1-amine N-[(S)-2,3-dihydrobenzofuran-5-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) 3.28 7.97 -38.16 2 3 1 39 303.451 5 ↓
Hi High (pH 8-9.5) 3.28 6.87 -7.47 1 3 0 34 302.443 5 ↓

Analogs

41190204
41190204
41193789
41193789
41190207
41190207

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl-(4,5-dimethylthiazol-2-yl)methyl]propan-1-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 3.28 7.96 -37.97 2 3 1 39 303.451 5 ↓
Hi High (pH 8-9.5) 3.28 6.98 -6.6 1 3 0 34 302.443 5 ↓

Analogs

41195942
41195942

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl(thiazol-2-yl)methyl]propan-2-amine N-[(S)-2,3-dihydrobenzofuran-5-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) 2.64 6.38 -35.53 2 3 1 39 275.397 4 ↓
Hi High (pH 8-9.5) 2.64 5.43 -6.86 1 3 0 34 274.389 4 ↓

Analogs

41195940
41195940

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl(thiazol-2-yl)methyl]propan-2-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 2.64 6.39 -35.29 2 3 1 39 275.397 4 ↓
Hi High (pH 8-9.5) 2.64 5.34 -5.9 1 3 0 34 274.389 4 ↓

Analogs

41196331
41196331

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 2.86 6.97 -36.99 2 3 1 39 289.424 4 ↓
Hi High (pH 8-9.5) 2.86 5.91 -6.7 1 3 0 34 288.416 4 ↓

Analogs

41196329
41196329

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(S)-2,3-dihydrobenzofuran-5-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) 2.86 6.94 -36.91 2 3 1 39 289.424 4 ↓
Hi High (pH 8-9.5) 2.86 6.03 -6.57 1 3 0 34 288.416 4 ↓

Analogs

41196701
41196701

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydrobenzofuran-5-yl-(4,5-dimethylthiazol-2-yl)methyl]propan-2-amine N-[(R)-2,3-dihydrobenzofuran-5-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) 3.08 7.74 -34.83 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.08 6.72 -7.18 1 3 0 34 302.443 4 ↓

Analogs

41196699
41196699

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydrobenzofuran-5-yl-(4,5-dimethylthiazol-2-yl)methyl]propan-2-amine N-[(S)-2,3-dihydrobenzofuran-5-y…

Find On: PubMed — Wikipedia — Google

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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) 3.08 7.67 -34.49 2 3 1 39 303.451 4 ↓
Hi High (pH 8-9.5) 3.08 6.74 -6.93 1 3 0 34 302.443 4 ↓

Parameters Provided:

ring.id = 520543
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 = 520543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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