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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: 2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]benzoic 2-[[(2S)-4-isobutylmorpholin-2-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) 2.88 7.84 -53.95 0 4 -1 53 308.423 6 ↓
Mid Mid (pH 6-8) 2.88 9.83 -73.95 1 4 0 54 309.431 6 ↓

Analogs

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Popular Name: 2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]benzoic 2-[[(2R)-4-isobutylmorpholin-2-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) 2.88 7.87 -54.02 0 4 -1 53 308.423 6 ↓
Mid Mid (pH 6-8) 2.88 9.88 -74.14 1 4 0 54 309.431 6 ↓

Analogs

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Popular Name: 4-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 4-[[(2S)-4-isobutylmorpholin-2-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) 2.43 5.28 -4.87 2 3 0 38 280.437 5 ↓
Mid Mid (pH 6-8) 2.43 7.28 -39.15 3 3 1 40 281.445 5 ↓

Analogs

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Popular Name: 4-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 4-[[(2R)-4-isobutylmorpholin-2-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) 2.43 5.29 -4.85 2 3 0 38 280.437 5 ↓
Mid Mid (pH 6-8) 2.43 7.32 -39.19 3 3 1 40 281.445 5 ↓

Analogs

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Popular Name: 2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]-5-methyl-aniline 2-[[(2S)-4-isobutylmorpholin-2-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) 3.22 6.06 -4.37 2 3 0 38 294.464 5 ↓
Mid Mid (pH 6-8) 3.22 8.03 -39.15 3 3 1 40 295.472 5 ↓

Analogs

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Popular Name: 2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]-5-methyl-aniline 2-[[(2R)-4-isobutylmorpholin-2-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) 3.22 6.04 -4.44 2 3 0 38 294.464 5 ↓
Mid Mid (pH 6-8) 3.22 8.06 -39.2 3 3 1 40 295.472 5 ↓

Analogs

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Popular Name: 4-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]-3-methyl-aniline 4-[[(2S)-4-isobutylmorpholin-2-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) 2.81 5.89 -4.79 2 3 0 38 294.464 5 ↓
Mid Mid (pH 6-8) 2.81 7.85 -38.88 3 3 1 40 295.472 5 ↓

Analogs

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Popular Name: 4-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]-3-methyl-aniline 4-[[(2R)-4-isobutylmorpholin-2-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) 2.81 5.87 -4.81 2 3 0 38 294.464 5 ↓
Mid Mid (pH 6-8) 2.81 7.88 -38.94 3 3 1 40 295.472 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-fluoro-4-[[(2S)-4-isobutylmorp…

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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) 2.52 5.32 -6.96 2 3 0 38 298.427 5 ↓
Mid Mid (pH 6-8) 2.52 7.32 -42.26 3 3 1 40 299.435 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-fluoro-4-[[(2R)-4-isobutylmorp…

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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) 2.52 5.34 -7.03 2 3 0 38 298.427 5 ↓
Mid Mid (pH 6-8) 2.52 7.37 -42.36 3 3 1 40 299.435 5 ↓

Analogs

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Popular Name: 5-fluoro-2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 5-fluoro-2-[[(2S)-4-isobutylmorp…

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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) 2.93 5.42 -4.24 2 3 0 38 298.427 5 ↓
Mid Mid (pH 6-8) 2.93 7.44 -41.18 3 3 1 40 299.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 5-fluoro-2-[[(2R)-4-isobutylmorp…

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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) 2.93 5.44 -4.28 2 3 0 38 298.427 5 ↓
Mid Mid (pH 6-8) 2.93 7.46 -41.23 3 3 1 40 299.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-chloro-2-[[(2S)-4-isobutylmorp…

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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) 3.42 5.94 -5.29 2 3 0 38 314.882 5 ↓
Mid Mid (pH 6-8) 3.42 7.96 -38.21 3 3 1 40 315.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-chloro-2-[[(2R)-4-isobutylmorp…

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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) 3.42 5.96 -4.3 2 3 0 38 314.882 5 ↓
Mid Mid (pH 6-8) 3.42 7.96 -36.85 3 3 1 40 315.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-chloro-4-[[(2S)-4-isobutylmorp…

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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) 3.04 5.73 -5.77 2 3 0 38 314.882 5 ↓
Mid Mid (pH 6-8) 3.04 7.73 -40.79 3 3 1 40 315.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-chloro-4-[[(2R)-4-isobutylmorp…

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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) 3.04 5.75 -5.91 2 3 0 38 314.882 5 ↓
Mid Mid (pH 6-8) 3.04 7.78 -40.88 3 3 1 40 315.89 5 ↓

Analogs

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Popular Name: 5-bromo-2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 5-bromo-2-[[(2S)-4-isobutylmorph…

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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) 3.58 5.98 -3.73 2 3 0 38 359.333 5 ↓
Mid Mid (pH 6-8) 3.58 7.97 -40.38 3 3 1 40 360.341 5 ↓

Analogs

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Popular Name: 5-bromo-2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 5-bromo-2-[[(2R)-4-isobutylmorph…

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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) 3.58 6.02 -3.72 2 3 0 38 359.333 5 ↓
Mid Mid (pH 6-8) 3.58 8.03 -40.36 3 3 1 40 360.341 5 ↓

Parameters Provided:

ring.id = 125112
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 = 125112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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