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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-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]benzoic 2-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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) 3.17 8.48 -55.55 0 4 -1 59 293.364 4 ↓

Analogs

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Popular Name: 2-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]benzoic 2-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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) 3.17 8.51 -55.52 0 4 -1 59 293.364 4 ↓

Analogs

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Popular Name: 4-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 4-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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) 2.72 5.87 -6.29 2 3 0 44 265.378 3 ↓

Analogs

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Popular Name: 4-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 4-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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) 2.72 5.98 -6.15 2 3 0 44 265.378 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-5-methyl-aniline 2-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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) 3.51 6.66 -5.75 2 3 0 44 279.405 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-5-methyl-aniline 2-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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) 3.51 6.7 -5.6 2 3 0 44 279.405 3 ↓

Analogs

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Popular Name: 4-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-3-methyl-aniline 4-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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) 3.10 6.49 -6.16 2 3 0 44 279.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-3-methyl-aniline 4-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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) 3.10 6.53 -6.03 2 3 0 44 279.405 3 ↓

Analogs

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Popular Name: 4-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-3-fluoro-aniline 4-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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 5.96 -8.7 2 3 0 44 283.368 3 ↓

Analogs

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Popular Name: 4-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-3-fluoro-aniline 4-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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 -8.62 2 3 0 44 283.368 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-5-fluoro-aniline 2-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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 6.07 -5.74 2 3 0 44 283.368 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-5-fluoro-aniline 2-[[(3R)-1,4-dioxaspiro[4.4]nona…

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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 6.11 -5.7 2 3 0 44 283.368 3 ↓

Analogs

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Popular Name: 3-chloro-2-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 3-chloro-2-[[(3S)-1,4-dioxaspiro…

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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) 3.71 6.53 -5.57 2 3 0 44 299.823 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 3-chloro-2-[[(3R)-1,4-dioxaspiro…

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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) 3.71 6.61 -6.44 2 3 0 44 299.823 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 3-chloro-4-[[(3S)-1,4-dioxaspiro…

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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) 3.33 6.38 -7.44 2 3 0 44 299.823 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 3-chloro-4-[[(3R)-1,4-dioxaspiro…

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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) 3.33 6.42 -7.31 2 3 0 44 299.823 3 ↓

Analogs

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Popular Name: 5-bromo-2-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 5-bromo-2-[[(3S)-1,4-dioxaspiro[…

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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) 3.87 6.62 -5.25 2 3 0 44 344.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]aniline 5-bromo-2-[[(3R)-1,4-dioxaspiro[…

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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) 3.87 6.66 -5.11 2 3 0 44 344.274 3 ↓

Parameters Provided:

ring.id = 126061
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 = 126061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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