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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8366818
8366818
8366819
8366819

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2S)-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) 1.98 5.18 -13.6 3 5 0 71 285.347 3 ↓
Mid Mid (pH 6-8) 1.54 3.91 -53.52 3 5 1 70 286.355 3 ↓

Analogs

8366818
8366818
8366819
8366819

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2R)-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) 1.98 5.2 -13.63 3 5 0 71 285.347 3 ↓
Mid Mid (pH 6-8) 1.54 3.91 -53.56 3 5 1 70 286.355 3 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2S)-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) 1.93 5.87 -12.35 3 4 0 62 255.321 2 ↓
Mid Mid (pH 6-8) 1.48 4.61 -52.5 3 4 1 60 256.329 2 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1H-pyrrol-2-yl)-[(2R)-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) 1.93 5.9 -12.26 3 4 0 62 255.321 2 ↓
Mid Mid (pH 6-8) 1.48 4.61 -52.5 3 4 1 60 256.329 2 ↓

Analogs

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Popular Name: (4-amino-1-ethyl-pyrrol-2-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1-ethyl-pyrrol-2-yl)-[(…

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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) 2.37 7.91 -9.6 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: (4-amino-1-ethyl-pyrrol-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1-ethyl-pyrrol-2-yl)-[(…

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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) 2.37 7.9 -9.54 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1-methyl-pyrrol-2-yl)-[…

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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 7 -9.95 2 4 0 51 269.348 2 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (4-amino-1-methyl-pyrrol-2-yl)-[…

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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 7.02 -10.02 2 4 0 51 269.348 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.52 9.19 -21.41 1 7 0 81 386.448 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.52 9.18 -21.43 1 7 0 81 386.448 6 ↓

Analogs

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Popular Name: (4-bromo-1H-pyrrol-2-yl)-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (4-bromo-1H-pyrrol-2-yl)-[(2S)-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) 3.29 7.24 -15.02 1 5 0 55 379.254 4 ↓

Analogs

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Popular Name: (4-bromo-1H-pyrrol-2-yl)-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (4-bromo-1H-pyrrol-2-yl)-[(2R)-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) 3.29 7.35 -15 1 5 0 55 379.254 4 ↓

Analogs

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Popular Name: 1-[5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone 1-[5-[(2R)-2-(2,4-dimethoxypheny…

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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) 2.98 8.49 -16.77 1 6 0 72 370.449 5 ↓

Analogs

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Popular Name: 1-[5-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone 1-[5-[(2S)-2-(2,4-dimethoxypheny…

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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) 2.98 8.41 -17.05 1 6 0 72 370.449 5 ↓

Analogs

26403201
26403201
26403205
26403205

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Popular Name: (4-bromo-1H-pyrrol-2-yl)-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (4-bromo-1H-pyrrol-2-yl)-[(2S)-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) 3.29 7.26 -14.42 1 5 0 55 379.254 4 ↓

Analogs

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Popular Name: (4-bromo-1H-pyrrol-2-yl)-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (4-bromo-1H-pyrrol-2-yl)-[(2R)-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) 3.29 7.35 -14.58 1 5 0 55 379.254 4 ↓

Analogs

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Popular Name: [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone [(2R)-2-(3,4-dimethoxyphenyl)pyr…

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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) 2.45 8.83 -14.01 0 5 0 44 328.412 4 ↓

Analogs

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Popular Name: [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone [(2S)-2-(3,4-dimethoxyphenyl)pyr…

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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) 2.45 8.87 -13.94 0 5 0 44 328.412 4 ↓

Analogs

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Popular Name: 1-[5-[(2S)-2-(p-tolyl)pyrrolidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone 1-[5-[(2S)-2-(p-tolyl)pyrrolidin…

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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) 2.79 9.14 -22.57 1 4 0 53 296.37 3 ↓

Analogs

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Popular Name: 1-[5-[(2R)-2-(p-tolyl)pyrrolidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone 1-[5-[(2R)-2-(p-tolyl)pyrrolidin…

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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) 2.79 9.15 -22.41 1 4 0 53 296.37 3 ↓

Analogs

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Popular Name: (1-methylpyrrol-2-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (1-methylpyrrol-2-yl)-[(2R)-2-ph…

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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) 2.58 9.14 -10.14 0 3 0 25 254.333 2 ↓

Analogs

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Popular Name: (1-methylpyrrol-2-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (1-methylpyrrol-2-yl)-[(2S)-2-ph…

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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) 2.58 9.17 -10.18 0 3 0 25 254.333 2 ↓

Analogs

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Popular Name: 1-[5-[(2R)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1-methyl-pyrrol-3-yl]ethanone 1-[5-[(2R)-2-(3-methoxyphenyl)py…

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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) 2.44 8.96 -15.6 0 5 0 52 326.396 4 ↓

Analogs

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Popular Name: 1-[5-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1-methyl-pyrrol-3-yl]ethanone 1-[5-[(2S)-2-(3-methoxyphenyl)py…

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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) 2.44 9 -15.49 0 5 0 52 326.396 4 ↓

Analogs

42063383
42063383

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Popular Name: 1-[5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methyl-pyrrol-3-yl]ethanone 1-[5-[(2R)-2-(3,4-dimethoxypheny…

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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) 2.06 8.79 -17.42 0 6 0 61 356.422 5 ↓

Analogs

42063382
42063382

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Popular Name: 1-[5-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methyl-pyrrol-3-yl]ethanone 1-[5-[(2S)-2-(3,4-dimethoxypheny…

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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) 2.06 8.83 -17.26 0 6 0 61 356.422 5 ↓

Parameters Provided:

ring.id = 15634
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 = 15634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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