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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: 2,5-Dimethyl-1-(2-morpholin-4-yl-ethyl)-1H-pyrrole-3-carbaldehyde 2,5-Dimethyl-1-(2-morpholin-4-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) 0.96 4.08 -7.91 0 4 0 34 236.315 4 ↓

Analogs

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Popular Name: 4-[2-(2,3,4-trimethylpyrrol-1-yl)ethyl]morpholine 4-[2-(2,3,4-trimethylpyrrol-1-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) 1.77 5.29 -4.58 0 3 0 17 222.332 3 ↓
Lo Low (pH 4.5-6) 1.77 7.56 -41.86 1 3 1 19 223.34 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(2-morpholinoethyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-1-…

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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) 1.66 6.1 -6.75 0 4 0 34 298.814 5 ↓
Mid Mid (pH 6-8) 1.66 8.37 -47.5 1 4 1 36 299.822 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(2-morpholinoethyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-1-…

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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) 1.66 6.36 -8.7 0 4 0 34 298.814 5 ↓
Mid Mid (pH 6-8) 1.66 8.63 -50.06 1 4 1 36 299.822 5 ↓

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1S)-1-methyl-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) 1.32 4.75 -10.6 0 4 0 34 250.342 4 ↓
Mid Mid (pH 6-8) 1.32 6.76 -52.81 1 4 1 36 251.35 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1R)-1-methyl-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) 1.32 4.86 -10.68 0 4 0 34 250.342 4 ↓
Mid Mid (pH 6-8) 1.32 7.02 -48.47 1 4 1 36 251.35 4 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1S)…

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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) 1.66 6.23 -8.78 0 4 0 34 298.814 5 ↓
Mid Mid (pH 6-8) 1.66 8.24 -48.72 1 4 1 36 299.822 5 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1R)…

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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) 1.66 6.33 -8.79 0 4 0 34 298.814 5 ↓
Mid Mid (pH 6-8) 1.66 8.49 -45.18 1 4 1 36 299.822 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-1-…

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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 6.62 -6.59 0 4 0 34 312.841 5 ↓
Mid Mid (pH 6-8) 2.02 8.63 -46.3 1 4 1 36 313.849 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-1-…

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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 6.73 -6.71 0 4 0 34 312.841 5 ↓
Mid Mid (pH 6-8) 2.02 8.89 -41.61 1 4 1 36 313.849 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-1-…

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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 6.88 -8.5 0 4 0 34 312.841 5 ↓
Mid Mid (pH 6-8) 2.02 8.89 -49.05 1 4 1 36 313.849 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-1-…

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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 6.99 -8.58 0 4 0 34 312.841 5 ↓
Mid Mid (pH 6-8) 2.02 9.15 -45.09 1 4 1 36 313.849 5 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(1S)-1-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) 1.05 4.76 -8.87 2 5 0 67 262.357 3 ↓
Mid Mid (pH 6-8) 1.05 6.75 -52.07 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(1R)-1-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) 1.05 4.75 -8.87 2 5 0 67 262.357 3 ↓
Mid Mid (pH 6-8) 1.05 6.99 -48.3 3 5 1 68 263.365 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrole-2-carbaldehyde 1-[(1S)-1-methyl-2-morpholino-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) 1.19 3.83 -8.46 0 4 0 34 222.288 4 ↓
Mid Mid (pH 6-8) 1.19 5.83 -51.11 1 4 1 36 223.296 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrole-2-carbaldehyde 1-[(1R)-1-methyl-2-morpholino-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) 1.19 3.86 -8.38 0 4 0 34 222.288 4 ↓
Mid Mid (pH 6-8) 1.19 6.04 -46.49 1 4 1 36 223.296 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrole-2-carboxylic 1-[(1S)-1-methyl-2-morpholino-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) 0.97 4.69 -50.87 0 5 -1 58 237.279 4 ↓
Mid Mid (pH 6-8) 0.97 6.68 -60 1 5 0 59 238.287 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrole-2-carboxylic 1-[(1R)-1-methyl-2-morpholino-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) 0.97 4.7 -50.94 0 5 -1 58 237.279 4 ↓
Mid Mid (pH 6-8) 0.97 6.69 -60.04 1 5 0 59 238.287 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-(2,5-dimethylpyrrol-1-yl)propyl]morpholine 4-[(2S)-2-(2,5-dimethylpyrrol-1-…

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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) 1.60 4.98 -4.66 0 3 0 17 222.332 3 ↓
Mid Mid (pH 6-8) 1.60 7.08 -41.84 1 3 1 19 223.34 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-(2,5-dimethylpyrrol-1-yl)propyl]morpholine 4-[(2R)-2-(2,5-dimethylpyrrol-1-…

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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) 1.60 5.01 -4.78 0 3 0 17 222.332 3 ↓
Mid Mid (pH 6-8) 1.60 7.07 -41.71 1 3 1 19 223.34 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-pyrrol-1-ylpropyl]morpholine 4-[(2S)-2-pyrrol-1-ylpropyl]morp…

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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) 1.16 4.38 -4.06 0 3 0 17 194.278 3 ↓
Mid Mid (pH 6-8) 1.16 6.38 -40.96 1 3 1 19 195.286 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-pyrrol-1-ylpropyl]morpholine 4-[(2R)-2-pyrrol-1-ylpropyl]morp…

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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) 1.16 4.39 -4.05 0 3 0 17 194.278 3 ↓
Mid Mid (pH 6-8) 1.16 6.62 -37.41 1 3 1 19 195.286 3 ↓

Parameters Provided:

ring.id = 46992
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 = 46992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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