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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: (3S)-4-benzoyl-8-(4-ethylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]dec (3S)-4-benzoyl-8-(4-ethylbenzoyl…

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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) 2.17 8.32 -19.49 1 8 0 88 505.615 6 ↓

Analogs

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Popular Name: (3R)-4-benzoyl-8-(4-ethylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]dec (3R)-4-benzoyl-8-(4-ethylbenzoyl…

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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) 2.17 7.96 -16.09 1 8 0 88 505.615 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-benzoyl-8-(4-ethylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]dec (3S)-4-benzoyl-8-(4-ethylbenzoyl…

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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) 2.17 8.41 -17.71 1 8 0 88 505.615 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-8-(4-ethylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]dec (3R)-4-benzoyl-8-(4-ethylbenzoyl…

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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) 2.17 8.01 -16.98 1 8 0 88 505.615 6 ↓

Analogs

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Popular Name: (3S)-8-(2-chlorobenzoyl)-4-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazasp (3S)-8-(2-chlorobenzoyl)-4-(2-me…

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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) 2.29 7.75 -17.34 1 8 0 88 526.033 5 ↓

Analogs

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Popular Name: (3R)-8-(2-chlorobenzoyl)-4-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazasp (3R)-8-(2-chlorobenzoyl)-4-(2-me…

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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) 2.29 7.79 -18.46 1 8 0 88 526.033 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-(2-chlorobenzoyl)-4-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazasp (3S)-8-(2-chlorobenzoyl)-4-(2-me…

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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) 2.29 7.79 -16.44 1 8 0 88 526.033 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(2-chlorobenzoyl)-4-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazasp (3R)-8-(2-chlorobenzoyl)-4-(2-me…

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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) 2.29 7.83 -19.38 1 8 0 88 526.033 5 ↓

Analogs

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Popular Name: (3S)-8-(4-methoxybenzoyl)-4-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3S)-8-(4-methoxybenzoyl)-4-(2-m…

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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) 1.71 6.56 -18.33 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(4-methoxybenzoyl)-4-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3R)-8-(4-methoxybenzoyl)-4-(2-m…

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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) 1.71 6.6 -17.78 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-(4-methoxybenzoyl)-4-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3S)-8-(4-methoxybenzoyl)-4-(2-m…

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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) 1.71 6.59 -16.87 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(4-methoxybenzoyl)-4-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3R)-8-(4-methoxybenzoyl)-4-(2-m…

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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) 1.71 6.63 -18.63 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3S)-4-(3-methoxybenzoyl)-8-(2-m…

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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) 1.69 6.6 -20.53 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3R)-4-(3-methoxybenzoyl)-8-(2-m…

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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) 1.69 6.92 -18.77 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3S)-4-(3-methoxybenzoyl)-8-(2-m…

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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) 1.69 6.74 -20.17 1 9 0 97 521.614 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methoxybenzoyl)-8-(2-methylbenzoyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-diazas (3R)-4-(3-methoxybenzoyl)-8-(2-m…

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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) 1.69 6.92 -20.2 1 9 0 97 521.614 6 ↓

Parameters Provided:

ring.id = 21063
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 = 21063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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