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

Analogs

35497605
35497605
35497607
35497607
35497608
35497608

Draw Identity 99% 90% 80% 70%

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

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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) 3.37 8.54 -39.89 2 2 1 26 274.409 3 ↓
Hi High (pH 8-9.5) 3.37 7.68 -6.39 1 2 0 21 273.401 3 ↓

Analogs

35497607
35497607
35497608
35497608
35497604
35497604

Draw Identity 99% 90% 80% 70%

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

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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) 3.37 8.54 -44.95 2 2 1 26 274.409 3 ↓
Hi High (pH 8-9.5) 3.37 7.37 -4.48 1 2 0 21 273.401 3 ↓

Analogs

35497608
35497608
35497604
35497604
35497605
35497605

Draw Identity 99% 90% 80% 70%

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

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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) 3.37 8.56 -44.9 2 2 1 26 274.409 3 ↓
Hi High (pH 8-9.5) 3.37 7.66 -5.3 1 2 0 21 273.401 3 ↓

Analogs

35497604
35497604
35497605
35497605
35497607
35497607

Draw Identity 99% 90% 80% 70%

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

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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) 3.37 8.53 -40.49 2 2 1 26 274.409 3 ↓
Hi High (pH 8-9.5) 3.37 7.71 -5.34 1 2 0 21 273.401 3 ↓

Analogs

35502168
35502168
35502169
35502169
35502170
35502170

Draw Identity 99% 90% 80% 70%

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

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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) 4.53 8.21 -39.03 2 2 1 26 315.245 3 ↓
Hi High (pH 8-9.5) 4.53 7.35 -3.04 1 2 0 21 314.237 3 ↓

Analogs

35502169
35502169
35502170
35502170
35502167
35502167

Draw Identity 99% 90% 80% 70%

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

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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) 4.53 8.33 -39.05 2 2 1 26 315.245 3 ↓
Hi High (pH 8-9.5) 4.53 7.24 -4.13 1 2 0 21 314.237 3 ↓

Analogs

35502170
35502170
35502167
35502167
35502168
35502168

Draw Identity 99% 90% 80% 70%

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

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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) 4.53 8.29 -39.48 2 2 1 26 315.245 3 ↓
Hi High (pH 8-9.5) 4.53 6.99 -3.48 1 2 0 21 314.237 3 ↓

Analogs

35502167
35502167
35502168
35502168
35502169
35502169

Draw Identity 99% 90% 80% 70%

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

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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) 4.53 8.18 -39.43 2 2 1 26 315.245 3 ↓
Hi High (pH 8-9.5) 4.53 7.36 -3.52 1 2 0 21 314.237 3 ↓

Analogs

35502782
35502782
35502784
35502784
35502787
35502787
35560301
35560301
35560303
35560303

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-[(2S)-2,3-dihydrobenzofuran-2-yl]-N-methyl-methanamine (1S)-1-(2,5-dibromo-3-thienyl)-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) 4.80 8.41 -38.78 2 2 1 26 404.147 3 ↓
Hi High (pH 8-9.5) 4.80 7.55 -3.13 1 2 0 21 403.139 3 ↓

Analogs

35502784
35502784
35502787
35502787
35560301
35560301
35560303
35560303
35560306
35560306

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-[(2S)-2,3-dihydrobenzofuran-2-yl]-N-methyl-methanamine (1R)-1-(2,5-dibromo-3-thienyl)-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) 4.80 8.61 -38.55 2 2 1 26 404.147 3 ↓
Hi High (pH 8-9.5) 4.80 7.46 -4.04 1 2 0 21 403.139 3 ↓

Analogs

35502787
35502787
35560301
35560301
35560303
35560303
35560306
35560306
35560308
35560308

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-[(2R)-2,3-dihydrobenzofuran-2-yl]-N-methyl-methanamine (1S)-1-(2,5-dibromo-3-thienyl)-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) 4.80 8.06 -40.16 2 2 1 26 404.147 3 ↓
Hi High (pH 8-9.5) 4.80 7.22 -3.35 1 2 0 21 403.139 3 ↓

Analogs

35560301
35560301
35560303
35560303
35560306
35560306
35560308
35560308
35502779
35502779

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-[(2R)-2,3-dihydrobenzofuran-2-yl]-N-methyl-methanamine (1R)-1-(2,5-dibromo-3-thienyl)-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) 4.80 8.36 -39.21 2 2 1 26 404.147 3 ↓
Hi High (pH 8-9.5) 4.80 7.55 -3.66 1 2 0 21 403.139 3 ↓

Parameters Provided:

ring.id = 17393
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 = 17393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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