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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: N-methyl-1-[(3R)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3R)-3-[[(2S)-tetrah…

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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) 0.93 3.38 -35.8 2 3 1 35 200.302 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3S)-3-[[(2S)-tetrah…

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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) 0.93 3.59 -30.92 2 3 1 35 200.302 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3R)-3-[[(2R)-tetrah…

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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) 0.93 4.47 -41.12 2 3 1 35 200.302 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3S)-3-[[(2R)-tetrah…

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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) 0.93 3.48 -35.28 2 3 1 35 200.302 4 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-[[(2S)-tetrahydrofura…

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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) 0.96 4.25 -34.48 2 3 1 35 214.329 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-[[(2S)-tetrahydrofura…

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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) 0.96 4.45 -29.93 2 3 1 35 214.329 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-[[(2R)-tetrahydrofura…

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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) 0.96 5.33 -40.15 2 3 1 35 214.329 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-[[(2R)-tetrahydrofura…

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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) 0.96 4.34 -34.49 2 3 1 35 214.329 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-[[(2S)-tetrahydrofura…

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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) 1.46 5.01 -35.21 2 3 1 35 228.356 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-[[(2S)-tetrahydrofura…

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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) 1.46 5.2 -30.51 2 3 1 35 228.356 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-[[(2R)-tetrahydrofura…

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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) 1.46 6.08 -40.91 2 3 1 35 228.356 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-[[(2R)-tetrahydrofura…

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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) 1.46 5.09 -35.13 2 3 1 35 228.356 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-[[(2S)-tetrahydrofura…

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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) 1.60 4.76 -33.09 2 3 1 35 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-[[(2S)-tetrahydrofura…

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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) 1.60 4.97 -28.78 2 3 1 35 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-[[(2R)-tetrahydrofura…

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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) 1.60 5.83 -38.37 2 3 1 35 228.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-[[(2R)-tetrahydrofura…

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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) 1.60 4.85 -33.15 2 3 1 35 228.356 5 ↓

Parameters Provided:

ring.id = 135078
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 = 135078 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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