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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

35497399
35497399

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(2,5-dimethyl-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) 2.25 6.34 -39.67 2 2 1 30 222.333 3 ↓
Hi High (pH 8-9.5) 2.25 5.51 -4.32 1 2 0 25 221.325 3 ↓

Analogs

35497397
35497397

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(2,5-dimethyl-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) 2.25 6.64 -40.01 2 2 1 30 222.333 3 ↓
Hi High (pH 8-9.5) 2.25 5.43 -4.2 1 2 0 25 221.325 3 ↓

Analogs

35497416
35497416

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Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1S)-1-(2,5-dimethyl-3-furyl)-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) 2.70 7.83 -37.95 2 2 1 30 250.387 3 ↓
Hi High (pH 8-9.5) 2.70 5.87 -4.56 1 2 0 25 249.379 3 ↓

Analogs

35497415
35497415

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Popular Name: (1R)-1-(2,5-dimethyl-3-furyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1R)-1-(2,5-dimethyl-3-furyl)-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) 2.70 7.82 -39 2 2 1 30 250.387 3 ↓
Hi High (pH 8-9.5) 2.70 5.83 -5.49 1 2 0 25 249.379 3 ↓

Analogs

35497428
35497428

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(2,5-dimethyl-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) 2.47 7.04 -38.7 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.47 4.98 -5.17 1 2 0 25 235.352 3 ↓

Analogs

35497426
35497426

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(2,5-dimethyl-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) 2.47 7 -37.76 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.47 5.13 -4.31 1 2 0 25 235.352 3 ↓

Analogs

35502045
35502045

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-1-(3-furyl)-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) 3.41 6.29 -40.4 2 2 1 30 263.169 3 ↓
Hi High (pH 8-9.5) 3.41 5.22 -2.41 1 2 0 25 262.161 3 ↓

Analogs

35502044
35502044

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-1-(3-furyl)-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) 3.41 6.1 -40.08 2 2 1 30 263.169 3 ↓
Hi High (pH 8-9.5) 3.41 5.11 -2.52 1 2 0 25 262.161 3 ↓

Analogs

35502055
35502055

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-1-(2,5-dimethyl-3-furyl)-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) 3.86 7.53 -38.43 2 2 1 30 291.223 3 ↓
Hi High (pH 8-9.5) 3.86 6.25 -2.7 1 2 0 25 290.215 3 ↓

Analogs

35502054
35502054

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Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-1-(2,5-dimethyl-3-furyl)-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) 3.86 7.54 -38.37 2 2 1 30 291.223 3 ↓
Hi High (pH 8-9.5) 3.86 6.64 -3.1 1 2 0 25 290.215 3 ↓

Analogs

35502061
35502061

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)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) 3.63 7.01 -38.17 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 3.63 5.48 -2.46 1 2 0 25 276.188 3 ↓

Analogs

35502060
35502060

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)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) 3.63 6.75 -38.42 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 3.63 6.12 -3.27 1 2 0 25 276.188 3 ↓

Analogs

35502478
35502478

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-(3-furyl)-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) 3.67 6.43 -40.21 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 3.67 5.41 -2.46 1 2 0 25 351.063 3 ↓

Analogs

35502475
35502475

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-(3-furyl)-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) 3.67 6.3 -39.91 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 3.67 5.31 -2.57 1 2 0 25 351.063 3 ↓

Analogs

35502506
35502506

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-(2,5-dimethyl-3-furyl)-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) 4.12 7.74 -38.1 2 2 1 30 380.125 3 ↓
Hi High (pH 8-9.5) 4.12 6.46 -2.65 1 2 0 25 379.117 3 ↓

Analogs

35502504
35502504

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-(2,5-dimethyl-3-furyl)-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) 4.12 7.74 -38.16 2 2 1 30 380.125 3 ↓
Hi High (pH 8-9.5) 4.12 5.66 -3.19 1 2 0 25 379.117 3 ↓

Analogs

35502521
35502521

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-N…

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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) 3.90 7.21 -37.95 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 3.90 5.68 -2.42 1 2 0 25 365.09 3 ↓

Analogs

35502519
35502519

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(2-methyl-3-furyl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-N…

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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) 3.90 6.95 -38.22 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 3.90 5.62 -2.64 1 2 0 25 365.09 3 ↓

Parameters Provided:

ring.id = 17292
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 = 17292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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