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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)-1-methyl-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3S)-1-methyl-3-(3-phenylpropyla…

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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) 1.21 6.16 -54.06 2 4 1 54 247.318 5 ↓
Hi High (pH 8-9.5) 1.21 4.88 -10.41 1 4 0 49 246.31 5 ↓

Analogs

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Popular Name: (3S)-1-ethyl-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3S)-1-ethyl-3-(3-phenylpropylam…

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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) 1.59 7.14 -53.64 2 4 1 54 261.345 6 ↓
Hi High (pH 8-9.5) 1.59 5.87 -10.14 1 4 0 49 260.337 6 ↓

Analogs

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Popular Name: (3S)-3-(3-phenylpropylamino)-1-propyl-pyrrolidine-2,5-dione (3S)-3-(3-phenylpropylamino)-1-p…

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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) 2.09 7.9 -53.75 2 4 1 54 275.372 7 ↓
Hi High (pH 8-9.5) 2.09 6.63 -10.01 1 4 0 49 274.364 7 ↓

Analogs

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Popular Name: (3S)-1-isopropyl-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3S)-1-isopropyl-3-(3-phenylprop…

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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) 1.88 7.7 -53.13 2 4 1 54 275.372 6 ↓
Hi High (pH 8-9.5) 1.88 6.42 -9.67 1 4 0 49 274.364 6 ↓

Analogs

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Popular Name: (3R)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3R)-3-(3-phenylpropylamino)pyrr…

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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) 0.97 3.84 -54.33 3 4 1 63 233.291 5 ↓
Hi High (pH 8-9.5) 0.97 2.6 -8.53 2 4 0 58 232.283 5 ↓
Mid Mid (pH 6-8) 1.15 1.29 -46.04 2 4 0 69 232.283 5 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-methylpropyl]-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3S)-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) 2.42 8.76 -52.89 2 4 1 54 289.399 7 ↓
Hi High (pH 8-9.5) 2.42 7.49 -9.35 1 4 0 49 288.391 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-methylpropyl]-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (3S)-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) 2.42 8.77 -53.05 2 4 1 54 289.399 7 ↓
Hi High (pH 8-9.5) 2.42 7.49 -9.37 1 4 0 49 288.391 7 ↓

Parameters Provided:

ring.id = 573733
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 = 573733 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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