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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-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3S)-1-[(2R)-2-(4-aminophenyl)-2…

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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) 0.74 3.33 -8.55 3 5 0 84 290.363 4 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3R)-1-[(2R)-2-(4-aminophenyl)-2…

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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) 0.74 3.32 -8.96 3 5 0 84 290.363 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3S)-1-[(2S)-2-(4-aminophenyl)-2…

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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) 0.74 3.23 -8.78 3 5 0 84 290.363 4 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3R)-1-[(2S)-2-(4-aminophenyl)-2…

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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) 0.74 3.22 -8.96 3 5 0 84 290.363 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3,3-diethyl-pyrrolidine-2,5-dione 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 0.83 3.36 -8.82 3 5 0 84 290.363 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3,3-diethyl-pyrrolidine-2,5-dione 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 0.83 3.28 -9.04 3 5 0 84 290.363 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]pyrrolidine-2,5-dione 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) -0.72 1.15 -10.63 3 5 0 84 234.255 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]pyrrolidine-2,5-dione 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) -0.72 1.24 -10.46 3 5 0 84 234.255 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]pyrrolidine-2,5-dione 1-[2-(2-aminophenyl)ethyl]pyrrol…

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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) 0.63 4.37 -9.43 2 4 0 63 218.256 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(2-aminophenyl)ethyl]-3-methyl-pyrrolidine-2,5-dione (3R)-1-[2-(2-aminophenyl)ethyl]-…

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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) 1.10 4.95 -8.5 2 4 0 63 232.283 3 ↓

Analogs

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Popular Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylamino-ethylimino-methyl)sulfanyl-pyrrolidine-2,5-dione 1-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 1.53 6.07 -37.4 2 7 1 82 394.517 10 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-ethyl]-3,3-diethyl-pyrrolidine-2,5-dione 1-[(2R)-2-amino-2-phenyl-ethyl]-…

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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 6.17 -39.18 3 4 1 65 275.372 5 ↓
Mid Mid (pH 6-8) 0.06 5.78 -6.86 2 4 0 63 274.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]-3,3-diethyl-pyrrolidine-2,5-dione 1-[(2S)-2-amino-2-phenyl-ethyl]-…

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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 6.17 -38.63 3 4 1 65 275.372 5 ↓
Mid Mid (pH 6-8) 0.06 5.84 -7.18 2 4 0 63 274.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-2-amino-2-phenyl-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3S)-1-[(2R)-2-amino-2-phenyl-et…

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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) -0.03 6.14 -39.53 3 4 1 65 275.372 4 ↓
Mid Mid (pH 6-8) -0.03 5.75 -6.64 2 4 0 63 274.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-2-amino-2-phenyl-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3R)-1-[(2R)-2-amino-2-phenyl-et…

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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) -0.03 6.13 -39.1 3 4 1 65 275.372 4 ↓
Mid Mid (pH 6-8) -0.03 5.73 -6.88 2 4 0 63 274.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S)-2-amino-2-phenyl-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3S)-1-[(2S)-2-amino-2-phenyl-et…

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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) -0.03 6.13 -38.95 3 4 1 65 275.372 4 ↓
Mid Mid (pH 6-8) -0.03 5.8 -6.96 2 4 0 63 274.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-2-amino-2-phenyl-ethyl]-3-isopropyl-3-methyl-pyrrolidine-2,5-dione (3R)-1-[(2S)-2-amino-2-phenyl-et…

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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) -0.03 6.02 -40.1 3 4 1 65 275.372 4 ↓
Mid Mid (pH 6-8) -0.03 5.69 -7.5 2 4 0 63 274.364 4 ↓

Parameters Provided:

ring.id = 15744
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 = 15744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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