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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-7,7-dioxo-7$l^{6}-thiaspiro[2.5]octan-1-amine (1S,3S)-7,7-dioxo-7$l^{6}-thiasp…

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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) -0.30 -0.35 -58.62 3 3 1 62 176.261 0 ↓
Mid Mid (pH 6-8) -0.30 -0.63 -10.43 2 3 0 60 175.253 0 ↓

Analogs

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Popular Name: (1S,3R)-7,7-dioxo-7$l^{6}-thiaspiro[2.5]octan-1-amine (1S,3R)-7,7-dioxo-7$l^{6}-thiasp…

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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) -0.30 -0.34 -56.34 3 3 1 62 176.261 0 ↓
Mid Mid (pH 6-8) -0.30 -0.65 -11.49 2 3 0 60 175.253 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-7,7-dioxo-7$l^{6}-thiaspiro[2.5]octan-1-amine (1R,3S)-7,7-dioxo-7$l^{6}-thiasp…

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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) -0.30 -0.34 -56.35 3 3 1 62 176.261 0 ↓
Mid Mid (pH 6-8) -0.30 -0.64 -10.52 2 3 0 60 175.253 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-7,7-dioxo-7$l^{6}-thiaspiro[2.5]octan-1-amine (1R,3R)-7,7-dioxo-7$l^{6}-thiasp…

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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) -0.30 -0.35 -58.6 3 3 1 62 176.261 0 ↓
Mid Mid (pH 6-8) -0.30 -0.65 -10.06 2 3 0 60 175.253 0 ↓

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]propan-2-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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) 1.26 3.38 -49.48 2 3 1 51 232.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]propan-2-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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) 1.26 3.36 -51.19 2 3 1 51 232.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]propan-2-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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) 1.26 3.35 -51.03 2 3 1 51 232.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]propan-2-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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) 1.26 3.38 -49.68 2 3 1 51 232.369 3 ↓

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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) 1.77 3.81 -48.21 2 3 1 51 246.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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) 1.77 3.78 -49.65 2 3 1 51 246.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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) 1.77 3.78 -49.55 2 3 1 51 246.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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) 1.77 3.81 -48.21 2 3 1 51 246.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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) 0.22 1.98 -51.34 2 4 1 60 248.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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) 0.22 1.96 -52.49 2 4 1 60 248.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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) 0.22 1.96 -53.09 2 4 1 60 248.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.5]octan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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) 0.22 1.98 -50.47 2 4 1 60 248.368 5 ↓

Parameters Provided:

ring.id = 288461
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 = 288461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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