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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-[[(2R,3S)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-1-amine N-[[(2R,3S)-3-(benzothiophen-3-y…

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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) 2.97 6.85 -35.66 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 2.97 5.42 -3.61 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 2.97 8.58 -107.48 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-1-amine N-[[(2S,3S)-3-(benzothiophen-3-y…

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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) 2.97 6.32 -35.39 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 2.97 4.98 -3.75 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 2.97 8.37 -101.25 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-1-amine N-[[(2R,3R)-3-(benzothiophen-3-y…

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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) 2.97 6.22 -35.78 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 2.97 4.8 -4.11 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 2.97 8.23 -101.16 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-1-amine N-[[(2S,3R)-3-(benzothiophen-3-y…

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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) 2.97 6.93 -35.37 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 2.97 5.59 -3.73 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 2.97 8.62 -107.35 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3S)-3-(benzothiophen-3-y…

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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) 3.11 6.62 -33.65 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 5.36 -3.55 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 8.36 -104.88 3 3 2 30 306.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-3-(benzothiophen-3-y…

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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) 3.11 6.09 -33.21 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 4.93 -3.68 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 8.15 -98.59 3 3 2 30 306.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2R,3R)-3-(benzothiophen-3-y…

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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) 3.11 5.93 -33.43 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 4.73 -3.96 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 7.96 -98.3 3 3 2 30 306.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-3-(benzothiophen-3-yl)-4-methyl-morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3R)-3-(benzothiophen-3-y…

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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) 3.11 6.7 -33.31 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 5.52 -3.66 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 8.38 -104.25 3 3 2 30 306.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(benzothiophen-3-yl)-4-ethyl-morpholin-2-yl]methanamine [(2R,3S)-3-(benzothiophen-3-yl)-…

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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) 1.83 4.12 -41.05 3 3 1 40 277.413 3 ↓
Hi High (pH 8-9.5) 1.83 3.66 -3.95 2 3 0 38 276.405 3 ↓
Lo Low (pH 4.5-6) 1.83 5.74 -108.6 4 3 2 41 278.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(benzothiophen-3-yl)-4-ethyl-morpholin-2-yl]methanamine [(2S,3S)-3-(benzothiophen-3-yl)-…

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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) 1.83 3.63 -40.76 3 3 1 40 277.413 3 ↓
Hi High (pH 8-9.5) 1.83 3.25 -4.05 2 3 0 38 276.405 3 ↓
Lo Low (pH 4.5-6) 1.83 5.54 -103.39 4 3 2 41 278.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(benzothiophen-3-yl)-4-ethyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(benzothiophen-3-yl…

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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) 2.81 6 -36.15 2 3 1 29 291.44 4 ↓
Hi High (pH 8-9.5) 2.81 4.57 -3.71 1 3 0 24 290.432 4 ↓
Lo Low (pH 4.5-6) 2.81 7.63 -103.51 3 3 2 30 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(benzothiophen-3-yl)-4-ethyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(benzothiophen-3-yl…

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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) 2.81 5.51 -35.89 2 3 1 29 291.44 4 ↓
Hi High (pH 8-9.5) 2.81 4 -4.04 1 3 0 24 290.432 4 ↓
Lo Low (pH 4.5-6) 2.81 7.41 -98.54 3 3 2 30 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(benzothiophen-3-yl)-4-propyl-morpholin-2-yl]methanamine [(2R,3S)-3-(benzothiophen-3-yl)-…

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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) 2.34 4.86 -41.24 3 3 1 40 291.44 4 ↓
Hi High (pH 8-9.5) 2.34 4.49 -3.9 2 3 0 38 290.432 4 ↓
Lo Low (pH 4.5-6) 2.34 6.47 -110.34 4 3 2 41 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(benzothiophen-3-yl)-4-propyl-morpholin-2-yl]methanamine [(2S,3S)-3-(benzothiophen-3-yl)-…

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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) 2.34 4.37 -40.83 3 3 1 40 291.44 4 ↓
Hi High (pH 8-9.5) 2.34 3.91 -4.22 2 3 0 38 290.432 4 ↓
Lo Low (pH 4.5-6) 2.34 6.27 -104.78 4 3 2 41 292.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(benzothiophen-3-yl)-4-propyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(benzothiophen-3-yl…

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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) 3.32 6.75 -36.38 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 3.32 5.31 -3.61 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 3.32 8.37 -105.17 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(benzothiophen-3-yl)-4-propyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(benzothiophen-3-yl…

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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) 3.32 6.25 -35.92 2 3 1 29 305.467 5 ↓
Hi High (pH 8-9.5) 3.32 4.75 -3.92 1 3 0 24 304.459 5 ↓
Lo Low (pH 4.5-6) 3.32 8.16 -99.99 3 3 2 30 306.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-(benzothiophen-3-yl)-4-isopropyl-morpholin-2-yl]methanamine [(2R,3S)-3-(benzothiophen-3-yl)-…

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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) 2.13 4.46 -41.05 3 3 1 40 291.44 3 ↓
Hi High (pH 8-9.5) 2.13 4.08 -3.88 2 3 0 38 290.432 3 ↓
Lo Low (pH 4.5-6) 2.13 6 -108.16 4 3 2 41 292.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-(benzothiophen-3-yl)-4-isopropyl-morpholin-2-yl]methanamine [(2S,3S)-3-(benzothiophen-3-yl)-…

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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) 2.13 4.05 -40.33 3 3 1 40 291.44 3 ↓
Hi High (pH 8-9.5) 2.13 3.57 -4.1 2 3 0 38 290.432 3 ↓
Lo Low (pH 4.5-6) 2.13 5.87 -102.24 4 3 2 41 292.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-3-(benzothiophen-3-yl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-3-(benzothiophen-3-yl…

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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) 3.11 6.34 -36.22 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 4.9 -3.59 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 7.89 -102.98 3 3 2 30 306.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-3-(benzothiophen-3-yl)-4-isopropyl-morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-3-(benzothiophen-3-yl…

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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) 3.11 5.92 -35.44 2 3 1 29 305.467 4 ↓
Hi High (pH 8-9.5) 3.11 4.42 -3.88 1 3 0 24 304.459 4 ↓
Lo Low (pH 4.5-6) 3.11 7.75 -97.4 3 3 2 30 306.475 4 ↓

Parameters Provided:

ring.id = 529516
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 = 529516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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