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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: (S)-(5-chloro-2-thienyl)-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (S)-(5-chloro-2-thienyl)-[(2R)-2…

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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) 3.99 6.58 -50.06 3 2 1 37 280.8 2 ↓
Hi High (pH 8-9.5) 3.99 6.25 -5.34 2 2 0 35 279.792 2 ↓

Analogs

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Popular Name: (S)-(5-chloro-2-thienyl)-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (S)-(5-chloro-2-thienyl)-[(2S)-2…

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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) 3.99 6.55 -49.9 3 2 1 37 280.8 2 ↓
Hi High (pH 8-9.5) 3.99 6.22 -5.4 2 2 0 35 279.792 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-thienyl)-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (R)-(5-chloro-2-thienyl)-[(2R)-2…

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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) 3.99 6.58 -50.38 3 2 1 37 280.8 2 ↓
Hi High (pH 8-9.5) 3.99 6.25 -5.39 2 2 0 35 279.792 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-thienyl)-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (R)-(5-chloro-2-thienyl)-[(2S)-2…

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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) 3.99 6.55 -50.19 3 2 1 37 280.8 2 ↓
Hi High (pH 8-9.5) 3.99 6.22 -5.39 2 2 0 35 279.792 2 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (1S)-1-(5-chloro-2-thienyl)-N-me…

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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) 4.36 8.31 -43.72 2 2 1 26 294.827 3 ↓
Hi High (pH 8-9.5) 4.36 7.16 -4.89 1 2 0 21 293.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (1S)-1-(5-chloro-2-thienyl)-N-me…

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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) 4.36 8.28 -43.53 2 2 1 26 294.827 3 ↓
Hi High (pH 8-9.5) 4.36 7.13 -4.92 1 2 0 21 293.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (1R)-1-(5-chloro-2-thienyl)-N-me…

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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) 4.36 8.4 -44.29 2 2 1 26 294.827 3 ↓
Hi High (pH 8-9.5) 4.36 7.13 -5.02 1 2 0 21 293.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methanamine (1R)-1-(5-chloro-2-thienyl)-N-me…

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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) 4.36 8.37 -44.08 2 2 1 26 294.827 3 ↓
Hi High (pH 8-9.5) 4.36 7.1 -4.95 1 2 0 21 293.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-chloro-2-thienyl)-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]ethanamine N-[(S)-(5-chloro-2-thienyl)-[(2S…

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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) 4.74 9.17 -42.15 2 2 1 26 308.854 4 ↓
Hi High (pH 8-9.5) 4.74 8.06 -4.79 1 2 0 21 307.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-chloro-2-thienyl)-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]ethanamine N-[(R)-(5-chloro-2-thienyl)-[(2S…

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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) 4.74 9.26 -42.23 2 2 1 26 308.854 4 ↓
Hi High (pH 8-9.5) 4.74 8.12 -4.74 1 2 0 21 307.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-chloro-2-thienyl)-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]ethanamine N-[(S)-(5-chloro-2-thienyl)-[(2R…

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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) 4.74 9.16 -42.01 2 2 1 26 308.854 4 ↓
Hi High (pH 8-9.5) 4.74 8.05 -4.76 1 2 0 21 307.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-chloro-2-thienyl)-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]methyl]ethanamine N-[(R)-(5-chloro-2-thienyl)-[(2R…

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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) 4.74 9.25 -42 2 2 1 26 308.854 4 ↓
Hi High (pH 8-9.5) 4.74 8.11 -4.74 1 2 0 21 307.846 4 ↓

Parameters Provided:

ring.id = 18203
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 = 18203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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