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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: (1S)-1-cyclopropyl-2-(2-thienyl)ethanamine (1S)-1-cyclopropyl-2-(2-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) 1.75 4.65 -39.79 3 1 1 28 168.285 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(2-thienyl)ethanamine (1R)-1-cyclopropyl-2-(2-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) 1.75 4.88 -36.98 3 1 1 28 168.285 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2R)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-1-[(1S,2R)-2-methylcyclopro…

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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) 2.36 4.9 -38.06 3 1 1 28 182.312 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-1-[(1S,2S)-2-methylcyclopro…

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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) 2.36 5.35 -37.24 3 1 1 28 182.312 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2R)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-1-[(1R,2R)-2-methylcyclopro…

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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) 2.36 5.55 -37.77 3 1 1 28 182.312 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-1-[(1R,2S)-2-methylcyclopro…

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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) 2.36 5.58 -35.7 3 1 1 28 182.312 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(2-thienyl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(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) 2.66 6.13 -35.17 2 1 1 17 182.312 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(2-thienyl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(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) 2.66 6.2 -32.22 2 1 1 17 182.312 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-methyl-1-[(1S,2R)-2-methy…

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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) 3.27 6.6 -32.81 2 1 1 17 196.339 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-methyl-1-[(1S,2S)-2-methy…

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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) 3.27 6.85 -32.98 2 1 1 17 196.339 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-methyl-1-[(1R,2R)-2-methy…

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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) 3.27 6.84 -32.92 2 1 1 17 196.339 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-methyl-1-[(1R,2S)-2-methy…

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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) 3.27 6.73 -32.61 2 1 1 17 196.339 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-thienyl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 3.03 6.98 -33.94 2 1 1 17 196.339 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-thienyl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 3.03 7.16 -31.3 2 1 1 17 196.339 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1S)-N-ethyl-1-[(1R,2S)-2-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) 3.64 7.43 -34 2 1 1 17 210.366 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-ethyl-1-[(1R,2S)-2-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) 3.64 7.56 -31.23 2 1 1 17 210.366 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1S)-N-ethyl-1-[(1S,2S)-2-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) 3.64 7.79 -34.32 2 1 1 17 210.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethanamine (1R)-N-ethyl-1-[(1S,2S)-2-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) 3.64 7.7 -31.85 2 1 1 17 210.366 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(2-thienyl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-thien…

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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) 3.54 7.73 -34.62 2 1 1 17 210.366 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(2-thienyl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-thien…

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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) 3.54 7.91 -31.86 2 1 1 17 210.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethyl]propan-1-amine N-[(1S)-1-[(1R,2S)-2-methylcyclo…

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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) 4.14 8.19 -34.7 2 1 1 17 224.393 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethyl]propan-1-amine N-[(1R)-1-[(1R,2S)-2-methylcyclo…

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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) 4.14 8.33 -31.79 2 1 1 17 224.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethyl]propan-1-amine N-[(1S)-1-[(1S,2S)-2-methylcyclo…

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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) 4.14 8.54 -35.01 2 1 1 17 224.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-thienyl)ethyl]propan-1-amine N-[(1R)-1-[(1S,2S)-2-methylcyclo…

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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) 4.14 8.45 -32.4 2 1 1 17 224.393 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 588267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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