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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-[(1S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methanamine N-methyl-1-[(1S)-1-[[(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) 3.19 8.37 -42.47 2 2 1 26 260.401 4 ↓

Analogs

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Popular Name: N-methyl-1-[(1R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methanamine N-methyl-1-[(1R)-1-[[(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) 3.19 8.24 -32.43 2 2 1 26 260.401 4 ↓

Analogs

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Popular Name: N-methyl-1-[(1S)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methanamine N-methyl-1-[(1S)-1-[[(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) 3.19 8.38 -45.1 2 2 1 26 260.401 4 ↓

Analogs

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Popular Name: N-methyl-1-[(1R)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methanamine N-methyl-1-[(1R)-1-[[(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) 3.19 8.31 -31.96 2 2 1 26 260.401 4 ↓

Analogs

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Popular Name: N-[[(1S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]ethanamine N-[[(1S)-1-[[(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) 3.21 9.23 -41.04 2 2 1 26 274.428 5 ↓

Analogs

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Popular Name: N-[[(1R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]ethanamine N-[[(1R)-1-[[(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) 3.21 9.11 -31.24 2 2 1 26 274.428 5 ↓

Analogs

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Popular Name: N-[[(1S)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]ethanamine N-[[(1S)-1-[[(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) 3.21 9.23 -43.56 2 2 1 26 274.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]ethanamine N-[[(1R)-1-[[(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) 3.21 9.17 -30.82 2 2 1 26 274.428 5 ↓

Analogs

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Popular Name: N-[[(1S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-1-amine N-[[(1S)-1-[[(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) 3.72 9.98 -42 2 2 1 26 288.455 6 ↓

Analogs

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Popular Name: N-[[(1R)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-1-amine N-[[(1R)-1-[[(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) 3.72 9.86 -31.87 2 2 1 26 288.455 6 ↓

Analogs

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Popular Name: N-[[(1S)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-1-amine N-[[(1S)-1-[[(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) 3.72 10.03 -44.55 2 2 1 26 288.455 6 ↓

Analogs

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Popular Name: N-[[(1R)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-1-amine N-[[(1R)-1-[[(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) 3.72 9.92 -31.37 2 2 1 26 288.455 6 ↓

Analogs

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Popular Name: N-[[(1S)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-2-amine N-[[(1S)-1-[[(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) 3.86 9.77 -39.52 2 2 1 26 288.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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 9.64 -30.08 2 2 1 26 288.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-2-amine N-[[(1S)-1-[[(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) 3.86 9.83 -42.07 2 2 1 26 288.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]tetralin-1-yl]methyl]propan-2-amine N-[[(1R)-1-[[(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) 3.86 9.69 -29.5 2 2 1 26 288.455 5 ↓

Parameters Provided:

ring.id = 134626
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 = 134626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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