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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: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethyl-pyrrole-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) 1.99 6.77 -10.57 0 5 0 58 289.331 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]pyrrole-2,5-dione 1-[(2S)-2-amino-2-phenyl-ethyl]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) -1.10 3.86 -39.49 3 4 1 67 217.248 3 ↓
Mid Mid (pH 6-8) -1.10 3.53 -7.88 2 4 0 65 216.24 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-ethyl]pyrrole-2,5-dione 1-[(2R)-2-amino-2-phenyl-ethyl]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) -1.10 3.85 -39.51 3 4 1 67 217.248 3 ↓
Mid Mid (pH 6-8) -1.10 3.44 -7.57 2 4 0 65 216.24 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-ethyl]-3-methyl-pyrrole-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) -0.72 4.53 -38.73 3 4 1 67 231.275 3 ↓
Mid Mid (pH 6-8) -0.72 4.19 -6.96 2 4 0 65 230.267 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]-3-methyl-pyrrole-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) -0.72 4.54 -38.49 3 4 1 67 231.275 3 ↓
Mid Mid (pH 6-8) -0.72 4.13 -6.88 2 4 0 65 230.267 3 ↓

Analogs

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Popular Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-pyrrole-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) 1.61 6.1 -10.87 0 5 0 58 275.304 5 ↓

Analogs

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Popular Name: 1-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[2-(2,4-dichlorophenyl)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) 3.25 7.82 -7.31 0 3 0 39 284.142 3 ↓

Analogs

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Popular Name: 1-[2-(4-fluorophenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[2-(4-fluorophenyl)ethyl]-3-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) 2.13 6.97 -7.64 0 3 0 39 233.242 3 ↓

Analogs

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Popular Name: (2S)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-3-phenyl-propanoic (2S)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 1.20 8.33 -55.18 0 5 -1 79 258.253 4 ↓

Analogs

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Popular Name: (2R)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)-3-phenyl-propanoic (2R)-2-(3-methyl-2,5-dioxo-pyrro…

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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) 1.20 8.52 -55.41 0 5 -1 79 258.253 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(diethylamino)-2-phenyl-ethyl]-3-methyl-pyrrole-2,5-dione 1-[(2R)-2-(diethylamino)-2-pheny…

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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) 2.53 8.69 -28.15 1 4 1 44 287.383 6 ↓
Hi High (pH 8-9.5) 2.53 6.38 -6.34 0 4 0 42 286.375 6 ↓

Analogs

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Popular Name: 1-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-3-methyl-pyrrole-2,5-dione 1-[(2S)-2-(diethylamino)-2-pheny…

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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) 2.53 9.06 -27.56 1 4 1 44 287.383 6 ↓
Hi High (pH 8-9.5) 2.53 6.62 -6.57 0 4 0 42 286.375 6 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[2-(4-methoxyphenyl)ethyl]-3-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) 2.02 6.2 -8.59 0 4 0 48 245.278 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(2R)-2-(dimethylamino)-2-(3-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) 1.81 7.22 -39.11 1 5 1 53 289.355 5 ↓
Hi High (pH 8-9.5) 1.81 4.86 -8.17 0 5 0 52 288.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(2S)-2-(dimethylamino)-2-(3-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) 1.81 7.17 -39.07 1 5 1 53 289.355 5 ↓
Hi High (pH 8-9.5) 1.81 5.13 -8.69 0 5 0 52 288.347 5 ↓

Parameters Provided:

ring.id = 171968
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 = 171968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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