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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: (3R)-1-methyl-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-methyl-3-[(1-propyl-4-pip…

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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) 0.19 4.15 -42.96 2 5 1 54 254.354 4 ↓
Mid Mid (pH 6-8) 0.19 5.21 -117.16 3 5 2 58 255.362 4 ↓

Analogs

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Popular Name: (3R)-1-ethyl-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-ethyl-3-[(1-propyl-4-pipe…

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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) 0.56 5.14 -42.6 2 5 1 54 268.381 5 ↓
Mid Mid (pH 6-8) 0.56 6.1 -121.18 3 5 2 58 269.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-propyl-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-propyl-3-[(1-propyl-4-pip…

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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) 1.07 5.85 -40.31 2 5 1 54 282.408 6 ↓
Mid Mid (pH 6-8) 1.07 6.86 -121.55 3 5 2 58 283.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-isopropyl-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-isopropyl-3-[(1-propyl-4-…

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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) 0.86 5.7 -42 2 5 1 54 282.408 5 ↓
Mid Mid (pH 6-8) 0.86 6.66 -120.75 3 5 2 58 283.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-3-[(1-propyl-4-piperidyl)am…

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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) -0.06 1.86 -43.03 3 5 1 63 240.327 4 ↓
Lo Low (pH 4.5-6) 0.13 0.3 -96.08 3 5 1 74 240.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-1-methylpropyl]-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-[(1S)-1-methylpropyl]-3-[…

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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) 1.40 6.77 -41.67 2 5 1 54 296.435 6 ↓
Mid Mid (pH 6-8) 1.40 7.82 -117.24 3 5 2 58 297.443 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-1-methylpropyl]-3-[(1-propyl-4-piperidyl)amino]pyrrolidine-2,5-dione (3R)-1-[(1R)-1-methylpropyl]-3-[…

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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) 1.40 6.77 -41.73 2 5 1 54 296.435 6 ↓
Mid Mid (pH 6-8) 1.40 7.82 -116.72 3 5 2 58 297.443 6 ↓

Parameters Provided:

ring.id = 587438
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 = 587438 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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