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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: (2S)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (2S)-N-[[(2R)-4-cyclopropylmorph…

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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) 1.52 3.25 -6.54 2 6 0 71 339.48 8 ↓
Mid Mid (pH 6-8) 1.52 5.71 -40.59 3 6 1 72 340.488 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (2R)-N-[[(2R)-4-cyclopropylmorph…

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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) 1.52 3.26 -6.87 2 6 0 71 339.48 8 ↓
Mid Mid (pH 6-8) 1.52 5.64 -40.56 3 6 1 72 340.488 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (2S)-N-[[(2S)-4-cyclopropylmorph…

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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) 1.52 3.5 -6.83 2 6 0 71 339.48 8 ↓
Mid Mid (pH 6-8) 1.52 5.76 -41.22 3 6 1 72 340.488 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-methyl-2-(3-methylbutanoylamino)butanamide (2R)-N-[[(2S)-4-cyclopropylmorph…

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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) 1.52 3.52 -6.62 2 6 0 71 339.48 8 ↓
Mid Mid (pH 6-8) 1.52 5.7 -40.04 3 6 1 72 340.488 8 ↓

Analogs

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Popular Name: (2R)-2-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]pentanedinitrile (2R)-2-[[[(2R)-4-cyclopropylmorp…

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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) -0.14 4.54 -61.05 2 5 1 77 263.365 7 ↓
Mid Mid (pH 6-8) -0.14 3.18 -13.24 1 5 0 72 262.357 7 ↓
Lo Low (pH 4.5-6) -0.14 5.43 -44.76 2 5 1 73 263.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]pentanedinitrile (2R)-2-[[[(2S)-4-cyclopropylmorp…

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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) -0.14 4.42 -59.22 2 5 1 77 263.365 7 ↓
Mid Mid (pH 6-8) -0.14 2.99 -12.62 1 5 0 72 262.357 7 ↓
Lo Low (pH 4.5-6) -0.14 5.4 -43.6 2 5 1 73 263.365 7 ↓

Parameters Provided:

ring.id = 25272
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 = 25272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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